SCHEMBL1574491

SCHEMBL1574491

CN(C)Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.80
CCKAR P32238 2/20 0.80

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
SCHEMBL1574489 1.00 CCKBR (0.80) CCKBRCCKAR
SCHEMBL1574089 0.90 CCKBR (0.82) CCKBRCCKAR
SCHEMBL1574090 0.90 CCKBR (0.82) CCKBRCCKAR
SCHEMBL1574182 0.89 CCKAR (0.78) CCKBRCCKAR
SCHEMBL1574179 0.89 CCKAR (0.78) CCKBRCCKAR
Hydrochloric Acid SCHEMBL8610035 0.89 CCKBR (0.81) CCKBRCCKAR
Netazepide SCHEMBL1387611 0.89 CCKBR (1.00) CCKBRCCKAR
Netazepide SCHEMBL1574251 0.89 CCKBR (1.00) CCKBRCCKAR
SCHEMBL1574452 0.89 CCKBR (0.85) CCKBRCCKAR
SCHEMBL1574231 0.89 CCKBR (0.85) 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 10 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 claimed
EP-1342719-A1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-10 EP claimed
US-5688943-A CHOLECYSTOKININ ANTAGONIST; ANTIULCER AGENTS; PSYCHOLOGICAL DRUGS; ANXIOLYTIC AGENTS; CONTROLLING APPETITE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US claimed
EP-0628033-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-12-14 EP claimed
WO-1993016999-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-09-02 WO claimed
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
WO-1993016999-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-09-02 WO disclosed