SCHEMBL9526682

SCHEMBL9526682

O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc(Cl)c1

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 11/20 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
SCHEMBL9526673 1.00 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9527092 0.92 CCKBR (0.84) CCKBRCCKAR
SCHEMBL9527083 0.92 CCKBR (0.84) CCKBRCCKAR
SCHEMBL642047 0.89 CCKBR (0.91) CCKBRCCKAR
SCHEMBL9526394 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526387 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL644096 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526461 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL6045960 0.87 CCKBR (0.76) CCKBRCCKAR
SCHEMBL6045850 0.85 CCKBR (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

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