SCHEMBL9525246

SCHEMBL9525246

O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 1.00
CCKAR P32238 12/20 1.00
CBLB Q13191 3/20 0.61

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
SCHEMBL9525234 1.00 CCKBR (1.00) CCKBRCCKARCBLB
SCHEMBL641790 0.86 CCKBR (0.75) CCKBRCCKARCBLB
SCHEMBL641913 0.86 CCKBR (0.75) CCKBRCCKARCBLB
SCHEMBL3962406 0.86 CCKBR (0.78) CCKBRCCKARCBLB
SCHEMBL642995 0.86 CCKBR (0.78) CCKBRCCKARCBLB
SCHEMBL20866649 0.85 CCKBR (0.74) CCKBRCCKAR
SCHEMBL643128 0.85 CCKBR (1.00) CCKBRCCKARCBLB
SCHEMBL9524959 0.85 CCKBR (1.00) CCKBRCCKARCBLB
SCHEMBL644320 0.85 CCKBR (0.77) CCKBRCCKARCBLB
SCHEMBL644298 0.85 CCKBR (0.77) CCKBRCCKARCBLB

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-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