SCHEMBL7688902

SCHEMBL7688902

Cc1ccccc1-c1nc(CNc2cccc(C(=O)OCc3ccccc3)c2)c(CCC23CC4CC(CC(C4)C2)C3)n1C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
CCKBR P32239 1/20 0.38

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
SCHEMBL6161085 0.89
SCHEMBL7080456 0.87
SCHEMBL7087125 0.80 PPIA (0.43) RAB9ACCKBR
SCHEMBL6162070 0.79
SCHEMBL6160714 0.78
SCHEMBL6161012 0.77 PPIA (0.41) RAB9ACCKBR
SCHEMBL7677952 0.76
SCHEMBL6159337 0.76
SCHEMBL6160443 0.75 PPIA (0.45)
SCHEMBL6166887 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed