SCHEMBL7334113

SCHEMBL7334113

Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccnc2Oc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.54
AVPR1A P37288 5/20 0.49
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.46
SHMT2 P34897 1/20 0.46
OXTR P30559 1/20 0.45
ROCK2 O75116 1/20 0.44

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
SCHEMBL7342906 0.96 AVPR2 (0.49) AVPR2AVPR1ATP53LMNASHMT2
SCHEMBL7400569 0.94 AVPR2 (0.48) AVPR2AVPR1ATP53LMNASHMT2
SCHEMBL7343689 0.93 AVPR2 (0.48) AVPR2AVPR1ATP53LMNASHMT2
SCHEMBL7344625 0.92 AVPR2 (0.49) AVPR2AVPR1ATP53LMNASHMT2
SCHEMBL7342384 0.90 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL7339437 0.89 TP53 (0.44) AVPR2AVPR1ATP53LMNASHMT2
SCHEMBL7343088 0.89 AVPR2 (0.48) AVPR2AVPR1ATP53LMNASHMT2
SCHEMBL7334015 0.88 AVPR2 (0.44) AVPR2AVPR1ATP53LMNASHMT2
SCHEMBL7339456 0.86 AVPR2 (0.56) AVPR2AVPR1ATP53
SCHEMBL7343520 0.86 AVPR2 (0.59) AVPR2AVPR1ALMNAOXTR

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