SCHEMBL8316248

SCHEMBL8316248

Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.58
AVPR1A P37288 12/20 0.58
OXTR P30559 1/20 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
SCHEMBL15216916 0.88 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL8314897 0.87 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL7340479 0.85 AVPR1A (0.74) AVPR2AVPR1A
SCHEMBL6630921 0.82 AVPR2 (0.73) AVPR2AVPR1AOXTR
SCHEMBL8318145 0.82 AVPR1A (0.58) AVPR2AVPR1AOXTR
SCHEMBL7331322 0.82 AVPR1A (0.69) AVPR2AVPR1A
SCHEMBL8315803 0.78 AVPR2 (0.46) AVPR2AVPR1AOXTR
SCHEMBL4145382 0.78 AVPR2 (0.63) AVPR2AVPR1AOXTR
SCHEMBL2938052 0.78 AVPR1A (0.66) AVPR2AVPR1A
SCHEMBL8317560 0.78 AVPR2 (0.43) 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