SCHEMBL6692844

SCHEMBL6692844

COc1cc(N(C(=N)N)C(N)=O)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
TSHR P16473 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MAPT P10636 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6696687 0.85 CYP1A2 (0.44) TSHRMAPTCYP3A4ALDH1A1GAA
SCHEMBL10744946 0.84 HTT (0.45) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7480109 0.79 MAPT (0.45) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6138040 0.77 MAPT (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10937649 0.76 PARP1 (0.50)
SCHEMBL6695494 0.76 MAPT (0.39) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8803946 0.71 AOC3 (0.43) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7090624 0.71 KMT2A (0.43) HTTTUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL8805153 0.70 AOC3 (0.42) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16892966 0.70 MEN1 (0.44) HTTTUBB4ATUBBTUBA3CTUBA1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP claimed
EP-0888141-B1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND THEIR USE FOR TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2004-05-26 EP claimed
EP-1019051-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-05-28 EP claimed
EP-1119354-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-02-12 EP claimed
JP-2002527392-A 2002-08-27 JP claimed
US-6353004-B1 TREATMENT OF PRUTITIC CONDITION IN VAGINA ADOLOR COPORATION 2002-03-05 US claimed
EP-1119354-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2001-08-01 EP claimed
JP-2001510157-A 2001-07-31 JP claimed
EP-0888141-A4 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2001-01-17 EP claimed
EP-1019051-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2000-07-19 EP claimed
WO-2000021530-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 2000-04-20 WO claimed
WO-1999003472-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 1999-01-28 WO claimed
EP-0888141-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH Adolor Corporation (US) 1999-01-07 EP claimed
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997033634-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORPORATION (US) 1997-09-18 WO claimed
US-5667773-A Film-forming compositions of antihyperalgesic opiates and method of treating hyperalgesic conditions therewith ADOLOR CORPORATION (US) 1997-09-16 US claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed
US-4025652-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1977-05-24 US claimed
EP-0888141-B1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND THEIR USE FOR TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2004-05-26 EP disclosed
US-6576650-B1 No central nervous system side effects REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-10 US disclosed
US-6573282-B1 Compositions for treatment of peripheral hyperalgesia are provided. The compositions contain an anti-hyperalgesia effective amount of one or more compounds that directly or indirectly interact with peripheral opiate receptors ADOLOR CORPORATION 2003-06-03 US disclosed
EP-1019051-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-05-28 EP disclosed
EP-1119354-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-02-12 EP disclosed
US-6353004-B1 TREATMENT OF PRUTITIC CONDITION IN VAGINA ADOLOR COPORATION 2002-03-05 US disclosed
EP-1119354-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2001-08-01 EP disclosed
US-6166039-A Peripherally active anti-hyperalgesic opiates REGENTS OF THE UNIV. OF CALIFORNIA (US) 2000-12-26 US disclosed
EP-1019051-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2000-07-19 EP disclosed
EP-1003489-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC AND PRURITIC CONDITIONS THEREWITH Adolor Corporation (US) 2000-05-31 EP disclosed
WO-2000021530-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 2000-04-20 WO disclosed
US-5994372-A ANTIDIARRHEA COMPOUND REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-11-30 US disclosed
US-5888494-A TOPICAL ADOLOR CORPORATION (US) 1999-03-30 US disclosed
WO-1999003455-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC AND PRURITIC CONDITIONS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 WO disclosed
WO-1999003472-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 1999-01-28 WO disclosed
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US disclosed
US-5849761-A Peripherally active anti-hyperalgesic opiates REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-15 US disclosed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP disclosed
US-5667773-A Film-forming compositions of antihyperalgesic opiates and method of treating hyperalgesic conditions therewith ADOLOR CORPORATION (US) 1997-09-16 US disclosed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO disclosed
US-4562209-A Promotion of feed efficiency in animals WILLIAM H. RORER, INC. (US) 1985-12-31 US disclosed
EP-0086193-A1 THE TREATMENT AND PREVENTION OF SCOURS IN ANIMALS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-08-24 EP disclosed
EP-0073276-A1 A method of increasing the feed efficiency of animals, and compositions for use in such a method RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-03-09 EP disclosed
WO-1983000624-A1 PROMOTION OF FEED EFFICIENCY IN ANIMALS CHOU, BILLY, JA-RAY 1983-03-03 WO disclosed
WO-1983000626-A1 THE TREATMENT AND PREVENTION OF SCOURS IN ANIMALS RORER INT OVERSEAS (US) 1983-03-03 WO disclosed
US-4340609-A Amidinourea derivative veterinary compositions for suppression of parasitemia WILLIAM H. RORER, INC. (US) 1982-07-20 US disclosed
US-4285972-A Method of treating scours WILLIAM H. RORER, INC. (US) 1981-08-25 US disclosed
US-4285972-A Method of treating scours WILLIAM H. RORER, INC. (US) 1981-08-25 US disclosed