SCHEMBL642854

SCHEMBL642854

Cc1ccc2c(c1)NC(=O)C(NC(=O)c1cccs1)N=C2c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.55
CCKAR P32238 13/20 0.54
CBLB Q13191 1/20 0.49

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
SCHEMBL3966426 0.85 CCKBR (0.53) CCKBRCCKAR
SCHEMBL643718 0.83 CCKBR (0.62) CCKBRCCKAR
SCHEMBL641999 0.81 CCKBR (0.59) CCKBRCCKARCBLB
SCHEMBL644146 0.79 CCKBR (0.62) CCKBRCCKAR
SCHEMBL1574481 0.78 BRD4 (0.62) CCKBRCCKAR
SCHEMBL1574479 0.78 BRD4 (0.62) CCKBRCCKAR
SCHEMBL3183407 0.74 CCKBR (0.47) CCKBRCCKAR
SCHEMBL2930364 0.73 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394863 0.73 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394473 0.73 CCKBR (0.76) 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