SCHEMBL9525757

SCHEMBL9525757

CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 1.00
CCKAR P32238 14/20 1.00
ADRB2 P07550 1/20 0.80
TSPO P30536 1/20 0.80
GLP1R P43220 1/20 0.80
FFAR4 Q5NUL3 1/20 0.80

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
SCHEMBL9525603 1.00 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL148766 0.89 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL29406251 0.89 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL4884074 0.89 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL6255769 0.89 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL31616311 0.89 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL8613468 0.89 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9122241 0.88 CCKBR (0.81) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9127549 0.88 CCKBR (0.81) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9122249 0.88 CCKBR (0.81) CCKBRCCKARADRB2TSPOGLP1R

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 8 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-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