SCHEMBL6159462

SCHEMBL6159462

CC(C)(C)OC(=O)C(O)Cc1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.55

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
SCHEMBL7533003 0.90 CCKBR (0.51) CCKBR
SCHEMBL6159948 0.89 CCKBR (0.58) CCKBR
SCHEMBL6160512 0.83 CCKBR (0.54) CCKBR
SCHEMBL6160920 0.83 CCKBR (0.61) CCKBR
SCHEMBL6159497 0.82 CCKBR (0.58) CCKBR
SCHEMBL6159942 0.82 CCKBR (0.58) CCKBR
Trifluoroacetic Acid SCHEMBL6159447 0.81 CCKBR (0.57) CCKBR
SCHEMBL6159450 0.80 CCKBR (0.54) CCKBR
SCHEMBL6160269 0.80 CCKBR (0.77) CCKBR
SCHEMBL6159832 0.80 CCKBR (0.77) 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