SCHEMBL6987523

SCHEMBL6987523

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.56
AVPR1A P37288 10/20 0.56
AVPR1B P47901 4/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6995228 0.94 AVPR2 (0.51) AVPR2AVPR1AAVPR1BNPC1RAB9A
SCHEMBL6991988 0.89 AVPR1A (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL6989178 0.87 AVPR2 (0.69) AVPR2AVPR1AAVPR1B
SCHEMBL6985550 0.86 AVPR2 (0.47) AVPR2AVPR1AAVPR1B
SCHEMBL6989537 0.84 AVPR1A (0.55) AVPR2AVPR1AAVPR1BNPC1RAB9A
SCHEMBL6996850 0.82 LMNA (0.51) AVPR2AVPR1AAVPR1B
SCHEMBL6994183 0.81 AVPR2 (0.60) AVPR2AVPR1AAVPR1B
SCHEMBL8796878 0.80 AVPR1A (0.67) AVPR2AVPR1AAVPR1B
SCHEMBL6989953 0.78 AVPR2 (0.62) AVPR2AVPR1AAVPR1B
SCHEMBL8798138 0.74 AVPR1A (0.77) AVPR2AVPR1AAVPR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP claimed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed