SCHEMBL8312897

SCHEMBL8312897

O=C(Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.54
AVPR1A P37288 3/20 0.54

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
SCHEMBL8316867 0.89 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL8314472 0.87 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL8316971 0.86 AVPR1A (0.54) AVPR2AVPR1A
SCHEMBL8314938 0.85 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL8311804 0.85 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8318280 0.84 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8312692 0.84 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL8317134 0.84 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL7332351 0.83 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL8316656 0.83 AVPR2 (0.63) 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