SCHEMBL6161342

SCHEMBL6161342

Cc1cc(C)c(-c2nc(COC34CC5CC(CC(C5)C3)C4)c(C(=O)Nc3cccc(C(=O)O)c3)n2O)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.51
EPHX2 P34913 1/20 0.41

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
SCHEMBL6160606 0.89 CCKBR (0.52) CCKBREPHX2
SCHEMBL6161329 0.82 CCKBR (0.55) CCKBREPHX2
SCHEMBL6158876 0.81 CCKBR (0.64) CCKBREPHX2
SCHEMBL6161135 0.80 CCKBR (0.43) CCKBR
SCHEMBL6159755 0.79 CCKBR (0.68) CCKBR
SCHEMBL6065041 0.77 CCKBR (0.53) CCKBR
SCHEMBL6065159 0.75 CCKBR (0.53) CCKBR
SCHEMBL6531513 0.75 CCKBR (0.50) CCKBREPHX2
SCHEMBL6065051 0.75 CCKBR (0.54) CCKBR
SCHEMBL6064529 0.74 CCKBR (0.59) 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 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