SCHEMBL7834637

SCHEMBL7834637

CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(N2CCC(C)CC2)c2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.85

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
SCHEMBL7817142 1.00 CCKBR (0.85) CCKBR
SCHEMBL9125008 0.92 CCKBR (0.87) CCKBR
SCHEMBL9368456 0.92 CCKBR (1.00) CCKBR
SCHEMBL9368282 0.92 CCKBR (0.87) CCKBR
SCHEMBL9368848 0.92 CCKBR (1.00) CCKBR
SCHEMBL9369176 0.91 CCKBR (0.86) CCKBR
SCHEMBL8883270 0.91 CCKBR (0.86) CCKBR
SCHEMBL9371045 0.91 CCKBR (0.86) CCKBR
Hydrochloric Acid SCHEMBL9368504 0.90 CCKBR (0.85) CCKBR
SCHEMBL9369628 0.90 CCKBR (0.88) 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 3 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
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