SCHEMBL9526211

SCHEMBL9526211

CN1C(=O)C(N)(C(=O)c2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.54
CCKAR P32238 14/20 0.54

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
SCHEMBL10518170 0.87 CCKBR (0.53) CCKBRCCKAR
SCHEMBL4412772 0.80 CCKAR (0.40) CCKBRCCKAR
SCHEMBL9866453 0.75 CCKBR (0.46) CCKBRCCKAR
SCHEMBL9526186 0.70 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525575 0.70 CCKBR (1.00) CCKBRCCKAR
SCHEMBL4413400 0.70 GABRA1 (0.41) CCKBRCCKAR
SCHEMBL4180415 0.69 OPRK1 (0.36) CCKBRCCKAR
SCHEMBL11264597 0.69 NR1H2 (0.47) CCKBRCCKAR
SCHEMBL4411435 0.67 CCKBR (0.42) CCKBR
SCHEMBL4418603 0.67 OPRK1 (0.52)

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 7 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
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP claimed
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP 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-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed