SCHEMBL9124113

SCHEMBL9124113

CCc1cccc(NC(=O)NC2N=C(N3CCN(C)CC3)c3ccccc3N(CC(C)C)C2=O)c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.84

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
SCHEMBL9124045 1.00 CCKBR (0.84) CCKBR
SCHEMBL9369834 0.91 CCKBR (1.00) CCKBR
SCHEMBL9367941 0.90 CCKBR (0.82) CCKBR
SCHEMBL9368562 0.89 CCKBR (0.84) CCKBR
SCHEMBL9368896 0.86 CCKBR (1.00) CCKBR
SCHEMBL9124768 0.84 CCKBR (0.72) CCKBR
SCHEMBL9369664 0.83 CCKBR (0.79) CCKBR
SCHEMBL9368465 0.83 CCKBR (0.79) CCKBR
SCHEMBL9368838 0.83 CCKBR (0.79) CCKBR
SCHEMBL9368456 0.82 CCKBR (1.00) CCKBR

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-0609306-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1994-08-10 EP claimed
WO-1993008176-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-29 WO claimed
EP-0539170-A1 Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors MERCK SHARP & DOHME LTD. (GB) 1993-04-28 EP claimed
US-5438055-A Antiarrhythmic benzodiazepines MERCK & CO., INC. (US) 1995-08-01 US disclosed
WO-1995014473-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
EP-0609306-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1994-08-10 EP disclosed
WO-1993008176-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-29 WO disclosed