SCHEMBL8317074

SCHEMBL8317074

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.84
AVPR1A P37288 14/20 0.84
OXTR P30559 1/20 0.78

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
SCHEMBL8314641 0.93 AVPR2 (0.88) AVPR2AVPR1AOXTR
SCHEMBL8313381 0.92 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL7341103 0.90 AVPR2 (0.90) AVPR2AVPR1AOXTR
SCHEMBL8313051 0.89 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8314868 0.89 AVPR2 (0.78) AVPR2AVPR1A
Lixivaptan SCHEMBL29377065 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL29387791 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL1649340 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL29373157 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8315060 0.87 AVPR2 (0.81) 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