SCHEMBL6161329

SCHEMBL6161329

O=C(O)c1cccc(NC(=O)c2c(COC34CC5CC(CC(C5)C3)C4)nc(C34CCC(CC3)CC4)n2O)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.55
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL6158876 0.84 CCKBR (0.64) CCKBRHIF1AEPAS1EPHX2
SCHEMBL6160606 0.83 CCKBR (0.52) CCKBRHIF1AEPAS1EPHX2
SCHEMBL6161342 0.82 CCKBR (0.51) CCKBREPHX2
SCHEMBL6161003 0.77 CCKBR (0.73) CCKBR
SCHEMBL6064529 0.77 CCKBR (0.59) CCKBRHIF1AEPAS1EPHX2
SCHEMBL6065049 0.75 CCKBR (0.63) CCKBRHIF1AEPAS1EPHX2
SCHEMBL6159631 0.75 CCKBR (0.53) CCKBR
SCHEMBL6065151 0.74 CCKBR (0.57) CCKBREPHX2
SCHEMBL6065076 0.74 CCKBR (0.64) CCKBREPHX2
SCHEMBL6064921 0.74 CCKBR (0.64) 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