SCHEMBL8313469

SCHEMBL8313469

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.77
AVPR1A P37288 9/20 0.77
OXTR P30559 1/20 0.58

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
SCHEMBL8313880 0.92 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL8316790 0.91 AVPR2 (0.83) AVPR2AVPR1AOXTR
SCHEMBL8316016 0.90 AVPR2 (0.89) AVPR2AVPR1AOXTR
SCHEMBL8316338 0.89 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL8314419 0.89 AVPR2 (0.85) AVPR2AVPR1AOXTR
SCHEMBL8314868 0.88 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL8317862 0.87 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8314796 0.86 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8317074 0.85 AVPR2 (0.84) AVPR2AVPR1AOXTR
SCHEMBL8312708 0.85 AVPR2 (0.75) AVPR2AVPR1A

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