SCHEMBL9525841

SCHEMBL9525841

O=C1Nc2ccccc2C(c2ccccc2F)=NC1O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.62
CCKAR P32238 7/20 0.57
LMNA P02545 1/20 0.56
PGR P06401 1/20 0.56

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
SCHEMBL11389506 0.85 GABRA1 (0.61) CCKBRCCKARLMNAPGR
SCHEMBL7329203 0.85 LMNA (0.80) LMNAPGR
SCHEMBL9865875 0.84 CCKBR (0.57) CCKBRCCKAR
SCHEMBL8533212 0.84 CCKBR (0.57) CCKBRCCKAR
SCHEMBL9526945 0.84 CCKBR (0.57) CCKBRCCKAR
SCHEMBL8533213 0.84 CCKBR (0.57) CCKBRCCKAR
SCHEMBL9526940 0.84 CCKBR (0.57) CCKBRCCKAR
SCHEMBL31696026 0.83 LMNA (0.59) CCKBRLMNAPGR
SCHEMBL9524748 0.83 MEN1 (0.71) CCKBRCCKARLMNAPGR
SCHEMBL9524753 0.83 MEN1 (0.71) CCKBRCCKARLMNAPGR

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 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