SCHEMBL8820744

SCHEMBL8820744

O=C(Nc1ccc(C(=O)N2CCc3ccccc3-c3sccc32)c(Cl)c1)c1cc(F)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.59
AVPR1A P37288 13/20 0.58
OXTR P30559 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
SCHEMBL8819621 0.95 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL8819468 0.93 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL8819397 0.93 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL8820807 0.92 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL8819765 0.90 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL8820799 0.86 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL8820794 0.86 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL8820810 0.85 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL8819600 0.85 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8819926 0.85 AVPR2 (0.57) 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