SCHEMBL9529136

SCHEMBL9529136

O=C(O)c1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 1.00
CCKAR P32238 7/20 0.58

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
SCHEMBL9526199 0.86 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9866963 0.86 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9530042 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL7521481 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526333 0.81 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526835 0.77 CCKBR (0.81) CCKBR
SCHEMBL9526220 0.76 CCKBR (1.00) CCKBR
SCHEMBL7514683 0.76 CCKBR (1.00) CCKBR
SCHEMBL9468964 0.74 CCKBR (0.80) CCKBRCCKAR
SCHEMBL9468706 0.74 CCKBR (0.80) 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-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP claimed
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
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