SCHEMBL9525609

SCHEMBL9525609

COc1ccc2[nH]c(C(=O)N[C@H]3N=C(c4ccccc4F)c4ccccc4NC3=O)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 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
SCHEMBL9525600 1.00 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9527124 0.89 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9527130 0.89 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526584 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526592 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9524795 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9524799 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525715 0.87 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525727 0.87 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525370 0.87 CCKBR (1.00) 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-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