SCHEMBL6987256

SCHEMBL6987256

Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.69
AVPR2 P30518 8/20 0.58
AVPR1B P47901 3/20 0.57
OXTR P30559 2/20 0.55

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
SCHEMBL6992362 0.91 AVPR1A (0.71) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6993534 0.91 AVPR1A (0.71) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6988950 0.90 AVPR2 (0.60) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6986061 0.87 AVPR1A (0.77) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6995626 0.87 AVPR1A (0.57) AVPR1AAVPR2AVPR1B
SCHEMBL6993624 0.85 AVPR1A (0.66) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6991697 0.85 AVPR1A (0.74) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6991947 0.85 AVPR1A (0.65) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6992370 0.84 AVPR1A (0.67) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6989784 0.84 AVPR1A (0.67) AVPR1AAVPR2AVPR1BOXTR

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 6 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
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP claimed
US-5654297-A CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-08-05 US 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
US-5654297-A CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed