SCHEMBL8316379

SCHEMBL8316379

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.77
AVPR1A P37288 12/20 0.77
OXTR P30559 1/20 0.57

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
SCHEMBL8314544 0.90 AVPR2 (0.78) AVPR2AVPR1AOXTR
SCHEMBL8314271 0.88 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL8314772 0.88 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL8313571 0.86 AVPR2 (0.73) AVPR2AVPR1AOXTR
SCHEMBL7333936 0.86 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL7336212 0.84 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL7338291 0.84 AVPR2 (0.86) AVPR2AVPR1AOXTR
SCHEMBL8317058 0.84 AVPR2 (0.74) AVPR2AVPR1AOXTR
SCHEMBL8315535 0.84 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL8311579 0.84 AVPR2 (0.69) 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