SCHEMBL7816463

SCHEMBL7816463

CCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(N2CCC(C)(C)CC2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.72

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
SCHEMBL7819322 1.00 CCKBR (0.72) CCKBR
SCHEMBL9372867 0.91 CCKBR (0.81) CCKBR
SCHEMBL8881976 0.90 CCKBR (0.66) CCKBR
SCHEMBL9279156 0.90 CCKBR (0.66) CCKBR
SCHEMBL7808664 0.90 CCKBR (0.84) CCKBR
SCHEMBL7816148 0.90 CCKBR (0.84) CCKBR
SCHEMBL9369628 0.84 CCKBR (0.88) CCKBR
SCHEMBL7816049 0.84 CCKBR (0.79) CCKBR
SCHEMBL9125008 0.84 CCKBR (0.87) CCKBR
SCHEMBL9368456 0.84 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652871-B1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-10-17 EP claimed
EP-0652871-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-17 EP claimed
WO-1994003437-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-17 WO claimed
EP-0652871-B1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-10-17 EP disclosed
US-5618812-A GASTRIN ANTAGONISTS; GASTROINTESTINAL DISORDERS MERCK SHARP & DOHME, LTD. (GB) 1997-04-08 US disclosed
WO-1994003437-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-17 WO disclosed