SCHEMBL642794

SCHEMBL642794

O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2o1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.79
CCKAR P32238 14/20 0.79

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
SCHEMBL9526157 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL642773 0.84 CCKBR (0.64) CCKBRCCKAR
SCHEMBL642296 0.84 CCKBR (0.64) CCKBRCCKAR
SCHEMBL3966528 0.83 CCKBR (0.59) CCKBRCCKAR
SCHEMBL642815 0.82 CCKBR (0.67) CCKBRCCKAR
SCHEMBL643022 0.81 CCKBR (0.69) CCKBRCCKAR
SCHEMBL642047 0.81 CCKBR (0.91) CCKBRCCKAR
SCHEMBL643364 0.81 CCKBR (0.68) CCKBRCCKAR
SCHEMBL9525110 0.81 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525122 0.81 CCKBR (1.00) CCKBRCCKAR

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
US-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed