SCHEMBL642773

SCHEMBL642773

Cc1cc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)oc1C

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.64
CCKAR P32238 14/20 0.64

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
SCHEMBL6048068 0.90 CCKBR (0.58) CCKBRCCKAR
SCHEMBL642815 0.86 CCKBR (0.67) CCKBRCCKAR
SCHEMBL642794 0.84 CCKBR (0.79) CCKBRCCKAR
SCHEMBL642296 0.84 CCKBR (0.64) CCKBRCCKAR
SCHEMBL3960450 0.83 CCKBR (0.56) CCKBRCCKAR
SCHEMBL644320 0.82 CCKBR (0.77) CCKBRCCKAR
SCHEMBL18394863 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL2930364 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394473 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL643022 0.81 CCKBR (0.69) 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