SCHEMBL8819954

SCHEMBL8819954

Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.65
AVPR1A P37288 10/20 0.62
OXTR P30559 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
SCHEMBL8563435 0.82 AVPR2 (0.74) AVPR2AVPR1AOXTR
SCHEMBL8564269 0.79 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL8820686 0.79 AVPR2 (0.82) AVPR2AVPR1AOXTR
SCHEMBL8820804 0.76 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL8819604 0.75 AVPR2 (0.78) AVPR2AVPR1AOXTR
SCHEMBL7332865 0.73 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8819612 0.73 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL8820801 0.73 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL8819934 0.72 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8820799 0.72 AVPR2 (0.60) AVPR2AVPR1AOXTR

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-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed