SCHEMBL7400504

SCHEMBL7400504

O=C(Nc1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(Cl)c1)c1ccccc1-c1ccsc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.58
AVPR1A P37288 10/20 0.58
IDH1 O75874 1/20 0.45

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
SCHEMBL7341289 0.92 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL7343051 0.88 AVPR2 (0.54) AVPR2AVPR1AIDH1
SCHEMBL7336360 0.85 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL7341306 0.84 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL7335725 0.81 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL7335578 0.79 AVPR2 (0.57) AVPR2AVPR1AIDH1
SCHEMBL7335141 0.76 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL6614607 0.76 AVPR2 (0.69) AVPR2AVPR1AIDH1
SCHEMBL7344625 0.75 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL7342384 0.74 AVPR2 (0.61) 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