SCHEMBL8798138

SCHEMBL8798138

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 0.77
AVPR2 P30518 11/20 0.77
AVPR1B P47901 6/20 0.76
OXTR P30559 1/20 0.55

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
SCHEMBL6990006 0.90 AVPR1A (0.79) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8796878 0.89 AVPR1A (0.67) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8797804 0.87 AVPR1A (1.00) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6991947 0.87 AVPR1A (0.65) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6989178 0.87 AVPR2 (0.69) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6988392 0.87 AVPR1A (0.64) AVPR1AAVPR2AVPR1B
SCHEMBL6989046 0.86 AVPR1A (1.00) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6987073 0.85 AVPR1A (0.80) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8797460 0.85 AVPR1A (0.62) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8799494 0.83 AVPR1A (0.65) AVPR1AAVPR2AVPR1B

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