SCHEMBL6159409

SCHEMBL6159409

O=C(OCc1ccccc1)c1nc(C2CCCCC2)[nH]c1CCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.46
EPHX2 P34913 5/20 0.38
ADORA3 P0DMS8 2/20 0.37

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
SCHEMBL6159433 0.95 CCKBR (0.47) CCKBREPHX2ADORA3
SCHEMBL6096321 0.85 CCKBR (0.61) CCKBREPHX2ADORA3
SCHEMBL6159844 0.85 CCKBR (0.41) CCKBRADORA3
SCHEMBL6159815 0.83 CCKBR (0.39) CCKBREPHX2ADORA3
SCHEMBL6158930 0.82 CCKBR (0.41) CCKBREPHX2ADORA3
SCHEMBL6158248 0.81 ADORA3 (0.39) CCKBRADORA3
SCHEMBL6096327 0.78 CCKBR (0.43) CCKBREPHX2ADORA3
SCHEMBL6160311 0.78 EPHX2 (0.38) EPHX2
SCHEMBL6158657 0.77 CCKBR (0.47) CCKBR
SCHEMBL6159001 0.77 CCKBR (0.51) CCKBREPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed