SCHEMBL6694010

SCHEMBL6694010

CCc1cccc(OC)c1N(C(=N)N)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARA Q07869 1/20 0.38
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL6694041 0.87 L3MBTL1 (0.42) TP53L3MBTL1CYP1A2CYP3A4KDM4E
SCHEMBL6696399 0.86 GABRA1 (0.41) TP53CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL6695376 0.82 CA12 (0.39) L3MBTL1CYP1A2CYP3A4CYP2C19KLK1
SCHEMBL6698678 0.81 TP53 (0.45) TP53CYP3A4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10939175 0.76 TP53 (0.39) TP53L3MBTL1MTNR1AMTNR1BKLK1
SCHEMBL11661810 0.74 TP53 (0.37) TP53L3MBTL1MTNR1AMTNR1BKDM4E
SCHEMBL6693405 0.73 KLK1 (0.39) TP53L3MBTL1CYP1A2CYP3A4KDM4E
SCHEMBL11060088 0.73 TP53 (0.42) TP53CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL11141768 0.72 GABRA1 (0.39) TP53CYP3A4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL11060077 0.72 CACNA1C (0.39) TP53CYP3A4CYP2C19MTNR1AKDM4E

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 42 patents — showing the first 20. 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
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 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