SCHEMBL642001

SCHEMBL642001

CCOc1ccc2ccccc2c1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.66
CCKAR P32238 14/20 0.66

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
SCHEMBL4074378 0.87 CCKBR (0.60) CCKBRCCKAR
SCHEMBL644213 0.83 CCKBR (0.70) CCKBRCCKAR
SCHEMBL9525246 0.80 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525234 0.80 CCKBR (1.00) CCKBRCCKAR
SCHEMBL642829 0.80 CCKBR (0.62) CCKBRCCKAR
SCHEMBL645104 0.80 CCKBR (0.62) CCKBRCCKAR
SCHEMBL642831 0.77 CCKBR (0.65) CCKBRCCKAR
SCHEMBL2521038 0.76 CCKBR (0.65) CCKBRCCKAR
SCHEMBL2521044 0.76 CCKBR (0.65) CCKBRCCKAR
SCHEMBL642047 0.76 CCKBR (0.91) 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