SCHEMBL641975

SCHEMBL641975

COc1cc2ccccc2cc1C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.68
CCKAR P32238 12/20 0.68

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
SCHEMBL643146 1.00 CCKBR (0.68) CCKBRCCKAR
SCHEMBL643149 0.90 CCKBR (0.63) CCKBRCCKAR
SCHEMBL642107 0.90 CCKBR (0.63) CCKBRCCKAR
SCHEMBL3959444 0.88 CCKBR (0.72) CCKBRCCKAR
SCHEMBL641898 0.88 CCKBR (0.69) CCKBRCCKAR
SCHEMBL641964 0.87 CCKBR (0.68) CCKBRCCKAR
SCHEMBL643036 0.87 CCKBR (0.68) CCKBRCCKAR
SCHEMBL4072332 0.86 CCKBR (0.62) CCKBRCCKAR
SCHEMBL4071639 0.86 CCKBR (0.62) CCKBRCCKAR
SCHEMBL643557 0.86 CCKBR (0.67) 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