SCHEMBL9526440

SCHEMBL9526440

O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1NC(=S)c1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.68
CCKAR P32238 11/20 0.68

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
SCHEMBL9526428 1.00 CCKBR (0.68) CCKBRCCKAR
SCHEMBL642449 0.89 CCKBR (0.81) CCKBRCCKAR
SCHEMBL643148 0.82 CCKBR (0.67) CCKBRCCKAR
SCHEMBL644300 0.82 CCKBR (0.75) CCKBRCCKAR
SCHEMBL9525747 0.80 CCKBR (0.66) CCKBRCCKAR
SCHEMBL643409 0.79 CCKBR (0.60) CCKBRCCKAR
SCHEMBL24612216 0.77 CCKBR (0.77) CCKBRCCKAR
SCHEMBL642047 0.77 CCKBR (0.91) CCKBRCCKAR
SCHEMBL18394321 0.77 CCKBR (0.67) CCKBRCCKAR
SCHEMBL20098422 0.77 CCKBR (0.74) 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