SCHEMBL1574481

SCHEMBL1574481

Cc1ccc2c(c1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)N=C2c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.62
BRD2 P25440 8/20 0.62
BRD3 Q15059 8/20 0.62
CCKBR P32239 8/20 0.55
SENP1 Q9P0U3 1/20 0.52
CCKAR P32238 6/20 0.51

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
SCHEMBL1574479 1.00 BRD4 (0.62) BRD4BRD2BRD3CCKBRSENP1
SCHEMBL1574220 0.89 BRD4 (0.61) BRD4BRD2BRD3CCKBRSENP1
SCHEMBL1574224 0.89 BRD4 (0.61) BRD4BRD2BRD3CCKBRSENP1
SCHEMBL1574399 0.88 CCKBR (0.65) CCKBRSENP1CCKAR
SCHEMBL641969 0.88 CCKBR (0.65) CCKBRSENP1CCKAR
SCHEMBL8711252 0.88 CCKBR (0.65) CCKBRSENP1CCKAR
SCHEMBL9115992 0.87 SENP1 (0.51) BRD4BRD2BRD3CCKBRSENP1
Water SCHEMBL9229371 0.87 CCKBR (0.64) CCKBRSENP1CCKAR
SCHEMBL17051376 0.84 BRD4 (0.61) BRD4BRD2BRD3CCKBRSENP1
SCHEMBL644328 0.83 CCKBR (0.62) BRD4BRD2BRD3CCKBRCCKAR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1342719-B1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists FERRING BV (NL) 2011-04-13 EP disclosed
EP-1342719-A1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-10 EP disclosed
US-5962451-A GASTROINTESTINAL DISORDERS; ANTIULCER AGENT; ANTICANCER AGENTS; SIDE-EFFECT REDUCTION FERRING BV (NL) 1999-10-05 US disclosed
US-5688943-A CHOLECYSTOKININ ANTAGONIST; ANTIULCER AGENTS; PSYCHOLOGICAL DRUGS; ANXIOLYTIC AGENTS; CONTROLLING APPETITE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US disclosed
EP-0628033-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-12-14 EP disclosed
WO-1993016999-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-09-02 WO disclosed