SCHEMBL6158857

SCHEMBL6158857

COC(=O)c1cccc(NC(=O)c2nc(-c3c(Cl)cccc3Cl)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.59
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6158219 0.92 CCKBR (0.58) CCKBR
SCHEMBL6159330 0.92 CCKBR (0.70) CCKBR
SCHEMBL6159677 0.84 CCKBR (0.68) CCKBR
SCHEMBL6159755 0.82 CCKBR (0.68) CCKBR
SCHEMBL6159592 0.82 CCKBR (0.73) CCKBRALDH1A1MAPTHPGDEPHX2
SCHEMBL6158250 0.80 CCKBR (0.47) CCKBR
SCHEMBL6159494 0.79 CCKBR (0.68) CCKBR
SCHEMBL6159585 0.78
SCHEMBL7682538 0.76 CCKBR (0.66) CCKBR
SCHEMBL6160853 0.76 CCKBR (0.54) 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