SCHEMBL6989393

SCHEMBL6989393

COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCCCc2sc(Cl)cc21

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.66
AVPR2 P30518 12/20 0.66
AVPR1B P47901 2/20 0.54
OXTR P30559 2/20 0.46
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6984084 0.90 AVPR2 (0.81) AVPR1AAVPR2OXTR
SCHEMBL6991947 0.86 AVPR1A (0.65) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6995626 0.86 AVPR1A (0.57) AVPR1AAVPR2AVPR1BTP53MAPT
SCHEMBL6986446 0.84 AVPR2 (0.71) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6993624 0.82 AVPR1A (0.66) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6989953 0.80 AVPR2 (0.62) AVPR1AAVPR2AVPR1BOXTRTP53
SCHEMBL8797804 0.80 AVPR1A (1.00) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6989325 0.79 AVPR1A (0.64) AVPR1AAVPR2AVPR1BOXTRMAPT
SCHEMBL6993625 0.78 AVPR1A (0.63) AVPR1AAVPR2AVPR1BOXTRTP53
SCHEMBL6991644 0.78 AVPR1A (0.73) AVPR1AAVPR2AVPR1BOXTRMAPT

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
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