SCHEMBL9526018

SCHEMBL9526018

CN(c1cc2ccccc2[nH]1)C1N=C(c2ccccc2F)c2ccccc2NC1=O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.58
CCKAR P32238 10/20 0.58

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
SCHEMBL10681389 0.79 CCKBR (0.67) CCKBRCCKAR
SCHEMBL9526021 0.73 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526025 0.73 CCKBR (1.00) CCKBRCCKAR
SCHEMBL10434945 0.73 CCKBR (0.61) CCKBRCCKAR
SCHEMBL9526754 0.73 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9524799 0.72 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9524795 0.72 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8533213 0.71 CCKBR (0.57) CCKBRCCKAR
SCHEMBL9865875 0.71 CCKBR (0.57) CCKBRCCKAR
SCHEMBL8533212 0.71 CCKBR (0.57) 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 6 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
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-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed