SCHEMBL6989178

SCHEMBL6989178

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.69
AVPR1A P37288 11/20 0.60
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
SCHEMBL6994183 0.94 AVPR2 (0.60) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8798138 0.87 AVPR1A (0.77) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6987523 0.87 AVPR2 (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL5321445 0.87 AVPR1A (0.75) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6988903 0.86 AVPR2 (0.55) AVPR2AVPR1AAVPR1B
SCHEMBL6989953 0.86 AVPR2 (0.62) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8820741 0.84 AVPR2 (0.72) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6988080 0.84 AVPR2 (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL5235081 0.82 AVPR2 (0.74) AVPR2AVPR1AAVPR1B
SCHEMBL5235980 0.81 AVPR2 (1.00) 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 5 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
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed