SCHEMBL8820751

SCHEMBL8820751

Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCc4cn(C)nc4-c4ccccc43)cc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.67
AVPR2 P30518 7/20 0.67
OXTR P30559 1/20 0.53

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
SCHEMBL8819120 0.94 AVPR2 (0.75) AVPR1AAVPR2OXTR
SCHEMBL8820424 0.92 AVPR2 (0.57) AVPR1AAVPR2OXTR
SCHEMBL8820731 0.89 AVPR1A (0.63) AVPR1AAVPR2OXTR
SCHEMBL8819055 0.88 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL8820363 0.88 AVPR2 (0.60) AVPR1AAVPR2OXTR
SCHEMBL8557460 0.86 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL8820706 0.86 AVPR1A (0.60) AVPR1AAVPR2OXTR
SCHEMBL8820795 0.86 AVPR2 (0.60) AVPR1AAVPR2OXTR
SCHEMBL8818380 0.86 AVPR2 (0.60) AVPR1AAVPR2OXTR
SCHEMBL8818680 0.86 AVPR2 (0.62) AVPR1AAVPR2OXTR

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
WO-1997047624-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed