SCHEMBL9865091

SCHEMBL9865091

CCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2Cl)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 1.00
CCKAR P32238 12/20 1.00

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
SCHEMBL9865102 1.00 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526353 0.89 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526340 0.89 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9865781 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8537024 0.83 CCKBR (0.72) CCKBRCCKAR
SCHEMBL8537020 0.83 CCKBR (0.72) CCKBRCCKAR
SCHEMBL9865127 0.82 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9865119 0.82 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9866759 0.81 CCKBR (0.69) CCKBRCCKAR
SCHEMBL8533798 0.80 CCKBR (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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