SCHEMBL6162627

SCHEMBL6162627

COC(=O)c1cc(NC(=O)c2nc(C34CCC(CC3)CC4)[nH]c2COC23CC4CC(CC(C4)C2)C3)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.49
EPHX2 P34913 1/20 0.37
PIK3CD O00329 1/20 0.36
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL6158968 0.92 CCKBR (0.54) CCKBR
SCHEMBL6160706 0.88
SCHEMBL6160233 0.86 CCKBR (0.67) CCKBREPHX2PIK3CDAKT1PIK3CA
SCHEMBL6159360 0.85 CCKBR (0.54) CCKBR
SCHEMBL6161003 0.80 CCKBR (0.73) CCKBR
SCHEMBL6160142 0.79 CCKBR (0.58) CCKBR
SCHEMBL7682427 0.79
SCHEMBL6159688 0.77 CCKBR (0.74) CCKBR
SCHEMBL7524223 0.77
SCHEMBL6163793 0.76 CCKBR (0.50) 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