SCHEMBL8797804

SCHEMBL8797804

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 1.00
AVPR2 P30518 13/20 1.00
AVPR1B P47901 4/20 0.58
OXTR P30559 4/20 0.54

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
SCHEMBL6993277 0.92 AVPR2 (0.85) AVPR1AAVPR2AVPR1B
SCHEMBL6984084 0.90 AVPR2 (0.81) AVPR1AAVPR2OXTR
SCHEMBL8796809 0.88 AVPR1A (0.79) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8798138 0.87 AVPR1A (0.77) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8796707 0.84 AVPR1A (0.74) AVPR1AAVPR2AVPR1B
SCHEMBL8801105 0.84 AVPR2 (0.72) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6991700 0.83 AVPR2 (0.72) AVPR1AAVPR2OXTR
SCHEMBL6986446 0.83 AVPR2 (0.71) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8796903 0.82 AVPR1A (0.74) AVPR1AAVPR2AVPR1B
SCHEMBL8796970 0.82 AVPR1A (0.73) AVPR1AAVPR2AVPR1BOXTR

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