SCHEMBL8314641

SCHEMBL8314641

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1C(F)(F)F

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.88
AVPR1A P37288 12/20 0.88
OXTR P30559 1/20 0.71

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
SCHEMBL8313051 0.93 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8317074 0.93 AVPR2 (0.84) AVPR2AVPR1AOXTR
SCHEMBL8315060 0.89 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL8314637 0.89 AVPR2 (0.88) AVPR2AVPR1AOXTR
SCHEMBL8317046 0.89 AVPR2 (0.85) AVPR2AVPR1AOXTR
SCHEMBL8317138 0.88 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL8315356 0.87 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL7339573 0.87 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL7002910 0.87 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL8313381 0.87 AVPR2 (1.00) 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
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed