SCHEMBL7343152

SCHEMBL7343152

O=C(Nc1ccc(C(=O)N2Cc3cccnc3Oc3ccccc32)c(Cl)c1)c1ccccc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.54
AVPR1A P37288 10/20 0.54
TP53 P04637 1/20 0.46

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
SCHEMBL7342384 0.94 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL7339456 0.94 AVPR2 (0.56) AVPR2AVPR1ATP53
SCHEMBL7341306 0.91 AVPR2 (0.51) AVPR2AVPR1ATP53
SCHEMBL7400569 0.91 AVPR2 (0.48) AVPR2AVPR1ATP53
SCHEMBL7343351 0.88 AVPR2 (0.61) AVPR2AVPR1ATP53
SCHEMBL7336335 0.87 AVPR2 (0.48) AVPR2AVPR1ATP53
SCHEMBL7339425 0.86 AVPR2 (0.48) AVPR2AVPR1ATP53
SCHEMBL7334113 0.85 AVPR2 (0.54) AVPR2AVPR1ATP53
SCHEMBL7342906 0.84 AVPR2 (0.49) AVPR2AVPR1ATP53
SCHEMBL7332478 0.84 AVPR2 (0.67) 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
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed