SCHEMBL9526053

SCHEMBL9526053

O=C1Nc2ccccc2C(c2ccccc2)=NC1NCCc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 1.00
CCKAR P32238 8/20 1.00
GOT1 P17174 1/20 0.48

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
SCHEMBL9526072 1.00 CCKBR (1.00) CCKBRCCKARGOT1
SCHEMBL9866743 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526056 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526856 0.83 CCKBR (0.90) CCKBRCCKAR
SCHEMBL9530610 0.82 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9530619 0.82 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9866963 0.80 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526199 0.80 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526459 0.78 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526467 0.78 CCKBR (1.00) 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 7 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-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