SCHEMBL8796709

SCHEMBL8796709

COc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.70
AVPR1B P47901 14/20 0.70
AVPR2 P30518 13/20 0.55
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8797250 0.84 AVPR1A (0.80) AVPR1AAVPR1BAVPR2
SCHEMBL6988983 0.84 AVPR1A (0.79) AVPR1AAVPR1BAVPR2
SCHEMBL8796741 0.82 AVPR1A (0.73) AVPR1AAVPR1BAVPR2
SCHEMBL7019432 0.80 AVPR1A (0.65) AVPR1AAVPR1BAVPR2
SCHEMBL8796707 0.79 AVPR1A (0.74) AVPR1AAVPR1BAVPR2
SCHEMBL7344114 0.79 AVPR1A (0.58) AVPR1AAVPR1BAVPR2
SCHEMBL7020907 0.79 AVPR1A (0.63) AVPR1AAVPR1BAVPR2
SCHEMBL6989537 0.77 AVPR1A (0.55) AVPR1AAVPR1BAVPR2
SCHEMBL6993669 0.77 AVPR1A (0.79) AVPR1AAVPR1BAVPR2
SCHEMBL8796903 0.76 AVPR1A (0.74) AVPR1AAVPR1BAVPR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed