SCHEMBL2179883

SCHEMBL2179883

CS(=O)(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O.NC1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.53
CCKAR P32238 11/20 0.53

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
SCHEMBL641936 0.93 CCKBR (0.59) CCKBRCCKAR
SCHEMBL4700911 0.84 MEN1 (0.58) CCKBRCCKAR
SCHEMBL644829 0.84 MEN1 (0.58) CCKBRCCKAR
SCHEMBL642305 0.84 MEN1 (0.58) CCKBRCCKAR
Bromide SCHEMBL8422518 0.83 MEN1 (0.56) CCKBRCCKAR
Bromide SCHEMBL8422516 0.82 MEN1 (0.55) CCKBRCCKAR
SCHEMBL643293 0.80 MEN1 (0.63) CCKBRCCKAR
SCHEMBL643150 0.80 CCKBR (0.56) CCKBRCCKAR
SCHEMBL24611857 0.78 CCKBR (0.64) CCKBRCCKAR
SCHEMBL9529682 0.78 CCKBR (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4719466-B2 2011-07-06 JP claimed
JP-2006503054-A 2006-01-26 JP claimed
EP-1539716-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Arrow Therapeutics Limited (GB) 2005-06-15 EP claimed
WO-2004026843-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2004-04-01 WO claimed