SCHEMBL7808642

SCHEMBL7808642

CCCN(C1=N[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(C)c2ccccc21)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.68
KCNH2 Q12809 1/20 0.60

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
SCHEMBL7817132 0.94 CCKBR (0.70) CCKBRKCNH2
SCHEMBL7816324 0.93 CCKBR (0.69) CCKBRKCNH2
SCHEMBL7819087 0.91 CCKBR (0.68) CCKBRKCNH2
SCHEMBL7808819 0.88 CCKBR (0.73) CCKBRKCNH2
SCHEMBL7816496 0.88 CCKBR (0.73) CCKBRKCNH2
SCHEMBL7807912 0.88 CCKBR (0.73) CCKBRKCNH2
SCHEMBL7819197 0.88 CCKBR (0.73) CCKBRKCNH2
SCHEMBL7810374 0.88 CCKBR (0.73) CCKBRKCNH2
Hydrochloric Acid SCHEMBL8837646 0.87 CCKBR (0.72) CCKBRKCNH2
SCHEMBL7816105 0.83 CCKBR (0.69) 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