SCHEMBL9865274

SCHEMBL9865274

COc1cccc(NC(=O)NC2N=C(c3ccc(C)cc3)c3ccccc3N(C)C2=O)c1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.88
KCNH2 Q12809 1/20 0.74

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
SCHEMBL9842663 0.94 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9842670 0.94 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9866099 0.94 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9866184 0.90 CCKBR (0.84) CCKBRKCNH2
SCHEMBL9865811 0.87 CCKBR (0.80) CCKBRKCNH2
L-365260 SCHEMBL29403509 0.85 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL5931098 0.85 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL9843248 0.85 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL29694194 0.85 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL1650330 0.85 CCKBR (1.00) CCKBRKCNH2

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-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP claimed
US-5049604-A Heat, oxidation and light resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-17 US disclosed
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed
EP-0172413-A2 Process for producing piperidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-26 EP disclosed