SCHEMBL8533213

SCHEMBL8533213

N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.57
CCKAR P32238 4/20 0.53

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
SCHEMBL8533212 1.00 CCKBR (0.57) CCKBRCCKAR
SCHEMBL9865875 1.00 CCKBR (0.57) CCKBRCCKAR
SCHEMBL9525841 0.84 CCKBR (0.62) CCKBRCCKAR
SCHEMBL9526239 0.83 CCKBR (0.63) CCKBRCCKAR
SCHEMBL9526253 0.83 CCKBR (0.63) CCKBRCCKAR
SCHEMBL15629495 0.82 NOTCH1 (0.48) CCKBRCCKAR
SCHEMBL9469932 0.82 CHRM1 (0.51) CCKBRCCKAR
SCHEMBL18315504 0.82 NOTCH1 (0.48) CCKBRCCKAR
SCHEMBL9526940 0.82 CCKBR (0.57) CCKBRCCKAR
SCHEMBL9526945 0.82 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
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