SCHEMBL9865240

SCHEMBL9865240

O=C(Cc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.78
CCKAR P32238 13/20 0.78

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
SCHEMBL642756 0.87 CCKBR (0.60) CCKBRCCKAR
SCHEMBL644751 0.87 CCKBR (0.76) CCKBRCCKAR
SCHEMBL641758 0.86 CCKBR (0.59) CCKBRCCKAR
SCHEMBL11899990 0.85 CCKBR (0.78) CCKBRCCKAR
SCHEMBL9526394 0.85 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526387 0.85 CCKBR (1.00) CCKBRCCKAR
SCHEMBL643224 0.83 CCKBR (1.00) CCKBRCCKAR
SCHEMBL644129 0.82 CCKBR (0.69) CCKBRCCKAR
SCHEMBL18394863 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL2930364 0.81 CCKBR (0.76) 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