SCHEMBL1574034

SCHEMBL1574034

CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 3/20 0.84
CCKBR P32239 3/20 0.79

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
SCHEMBL1574033 1.00 CCKAR (0.84) CCKARCCKBR
SCHEMBL1574047 0.92 CCKAR (1.00) CCKARCCKBR
SCHEMBL1574046 0.92 CCKAR (1.00) CCKARCCKBR
SCHEMBL1574363 0.91 CCKAR (0.81) CCKARCCKBR
SCHEMBL1574364 0.91 CCKAR (0.81) CCKARCCKBR
SCHEMBL1574334 0.91 CCKAR (0.83) CCKARCCKBR
SCHEMBL1574119 0.91 CCKAR (0.83) CCKARCCKBR
SCHEMBL1574336 0.91 CCKAR (0.83) CCKARCCKBR
SCHEMBL1576719 0.91 CCKAR (0.83) CCKARCCKBR
Methylethylamine SCHEMBL9544501 0.91 CCKAR (0.80) CCKARCCKBR

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 11 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-5962451-A GASTROINTESTINAL DISORDERS; ANTIULCER AGENT; ANTICANCER AGENTS; SIDE-EFFECT REDUCTION FERRING BV (NL) 1999-10-05 US claimed
US-5688943-A CHOLECYSTOKININ ANTAGONIST; ANTIULCER AGENTS; PSYCHOLOGICAL DRUGS; ANXIOLYTIC AGENTS; CONTROLLING APPETITE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US 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
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