SCHEMBL6892243

SCHEMBL6892243

N=C(N)N(C(N)=O)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.60
HTR3B O95264 4/20 0.60
HTR3A P46098 4/20 0.60
HTR3D Q70Z44 4/20 0.60
HTR3C Q8WXA8 4/20 0.60
PARP1 P09874 1/20 0.46
MAPT P10636 2/20 0.40
IDO1 P14902 2/20 0.39
WDR5 P61964 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 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
SCHEMBL11580313 0.79 PARP1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL10729157 0.79 ALDH1A1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6898137 0.79 C1S (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27950444 0.78 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3388884 0.78 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6690812 0.78 LMNA (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3073692 0.77 ALDH1A1 (0.45) PARP1MAPTALDH1A1HTTRAB9A
SCHEMBL6695957 0.77 IDO1 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
Biclodil SCHEMBL11141418 0.77 HTR3E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6694312 0.77 ALDH1A1 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6353004-B1 TREATMENT OF PRUTITIC CONDITION IN VAGINA ADOLOR COPORATION 2002-03-05 US claimed
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US 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
US-4446152-A SUBSTITUTED PHENYLAMIDINOUREA WILLIAM H. RORER, INC. (US) 1984-05-01 US 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
US-6353004-B1 TREATMENT OF PRUTITIC CONDITION IN VAGINA ADOLOR COPORATION 2002-03-05 US disclosed
US-6166039-A Peripherally active anti-hyperalgesic opiates REGENTS OF THE UNIV. OF CALIFORNIA (US) 2000-12-26 US 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
US-4446152-A SUBSTITUTED PHENYLAMIDINOUREA WILLIAM H. RORER, INC. (US) 1984-05-01 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-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-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed