SCHEMBL6949426

SCHEMBL6949426

CN(C)c1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.76
CCKBR P32239 9/20 0.64

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
SCHEMBL6935226 0.91 CCKAR (0.83) CCKARCCKBR
SCHEMBL6935230 0.91 CCKAR (0.83) CCKARCCKBR
SCHEMBL6949422 0.88 CCKAR (0.70) CCKARCCKBR
SCHEMBL6939889 0.86 CCKAR (1.00) CCKARCCKBR
SCHEMBL1574278 0.86 CCKAR (1.00) CCKARCCKBR
SCHEMBL1574279 0.86 CCKAR (1.00) CCKARCCKBR
SCHEMBL6937474 0.85 CCKAR (0.98) CCKARCCKBR
SCHEMBL6942443 0.85 CCKAR (0.98) CCKARCCKBR
SCHEMBL6942439 0.85 CCKAR (0.98) CCKARCCKBR
SCHEMBL6937472 0.85 CCKAR (0.98) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1342719-A1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-10 EP disclosed
EP-0628033-B1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMA CO LTD (JP) 2003-07-23 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