SCHEMBL6159977

SCHEMBL6159977

CN1CCCC1c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1

nearest known ligand 0.77

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
SCHEMBL6161783 1.00 CCKBR (0.58) CCKBR
SCHEMBL6159967 1.00 CCKBR (0.58) CCKBR
SCHEMBL6160147 0.98 CCKBR (0.60) CCKBR
SCHEMBL6161116 0.90 CCKBR (0.54) CCKBR
SCHEMBL6161109 0.90 CCKBR (0.54) CCKBR
SCHEMBL7688542 0.89 CCKBR (0.51) CCKBR
SCHEMBL7688538 0.89 CCKBR (0.51) CCKBR
SCHEMBL6158220 0.87 CCKBR (0.76) CCKBR
SCHEMBL6158126 0.87 CCKBR (0.70) CCKBR
SCHEMBL6161359 0.87

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