SCHEMBL6989132

SCHEMBL6989132

Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCc4sccc43)cc2)c1C

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 16/20 0.85
AVPR1B P47901 5/20 0.85
AVPR2 P30518 10/20 0.70
OXTR P30559 1/20 0.62

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
SCHEMBL6989046 0.92 AVPR1A (1.00) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL9054176 0.86 AVPR1A (0.64) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6993534 0.86 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6987073 0.85 AVPR1A (0.80) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6990006 0.84 AVPR1A (0.79) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7345440 0.84 AVPR1A (0.86) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6988528 0.84 AVPR1A (1.00) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6988098 0.84 AVPR1A (0.74) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL8796814 0.83 AVPR1A (0.77) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7348365 0.83 AVPR1A (0.85) AVPR1AAVPR1BAVPR2OXTR

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-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
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