SCHEMBL8317046

SCHEMBL8317046

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1F

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.85
AVPR1A P37288 13/20 0.85
OXTR P30559 1/20 0.77

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
SCHEMBL7332865 0.92 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8314637 0.92 AVPR2 (0.88) AVPR2AVPR1AOXTR
SCHEMBL8313381 0.91 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8315356 0.90 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL7341103 0.89 AVPR2 (0.90) AVPR2AVPR1AOXTR
SCHEMBL7002910 0.89 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL7339573 0.89 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8314641 0.89 AVPR2 (0.88) AVPR2AVPR1AOXTR
SCHEMBL5738817 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8313051 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