SCHEMBL8883205

SCHEMBL8883205

CN1C(=O)[C@H](NC(=O)Nc2ccccc2)N=C(N2CCCCCC2)c2ccccc21

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
SCHEMBL8883652 0.92 CCKBR (0.84) CCKBR
SCHEMBL9374336 0.92 CCKBR (1.00) CCKBR
SCHEMBL9368302 0.92 CCKBR (1.00) CCKBR
SCHEMBL9368015 0.92 CCKBR (1.00) CCKBR
SCHEMBL9368655 0.91 CCKBR (0.82) CCKBR
Hydrochloric Acid SCHEMBL9368397 0.91 CCKBR (1.00) CCKBR
SCHEMBL9369611 0.90 CCKBR (1.00) CCKBR
SCHEMBL9369090 0.90 CCKBR (0.73) CCKBR
SCHEMBL9372432 0.90 CCKBR (0.73) CCKBR
SCHEMBL9368393 0.89 CCKBR (0.79) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696110-A ANTIULCER AGENTS MERCK, SHARP & DOHME, LTD. (GB) 1997-12-09 US claimed
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-5696110-A ANTIULCER AGENTS MERCK, SHARP & DOHME, LTD. (GB) 1997-12-09 US 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
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 disclosed