SCHEMBL6988080

SCHEMBL6988080

Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.61
AVPR1A P37288 11/20 0.58
AVPR1B P47901 4/20 0.58
OXTR P30559 1/20 0.48

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
SCHEMBL6989777 0.87 AVPR2 (0.58) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL5321445 0.87 AVPR1A (0.75) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6985550 0.86 AVPR2 (0.47) AVPR2AVPR1AAVPR1B
SCHEMBL6993361 0.86 AVPR2 (0.57) AVPR2AVPR1AAVPR1B
SCHEMBL8819380 0.85 AVPR2 (0.58) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6994183 0.84 AVPR2 (0.60) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6989178 0.84 AVPR2 (0.69) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6991662 0.79 AVPR1A (0.58) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6988903 0.79 AVPR2 (0.55) AVPR2AVPR1AAVPR1B
SCHEMBL6992837 0.78 AVPR2 (0.57) 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 7 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
US-5696112-A TREATMENT OF CONGESTIVE HEART FAILURE, CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-09 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-5696112-A TREATMENT OF CONGESTIVE HEART FAILURE, CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-09 US disclosed
US-5654297-A CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed