SCHEMBL6160142

SCHEMBL6160142

O=C(O)Cc1cccc(NC(=O)c2nc(C34CCC(CC3)CC4)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.58

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
SCHEMBL6161003 0.88 CCKBR (0.73) CCKBR
SCHEMBL6160236 0.85 CCKBR (0.79) CCKBR
SCHEMBL6160431 0.85 CCKBR (0.79) CCKBR
SCHEMBL6158968 0.82 CCKBR (0.54) CCKBR
SCHEMBL6159360 0.82 CCKBR (0.54) CCKBR
SCHEMBL6160853 0.82 CCKBR (0.54) CCKBR
SCHEMBL6162627 0.79 CCKBR (0.49) CCKBR
SCHEMBL6163793 0.79 CCKBR (0.50) CCKBR
SCHEMBL6163186 0.77 CCKBR (0.62) CCKBR
SCHEMBL6338361 0.77 CCKBR (0.44) 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 2 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