SCHEMBL6163751

SCHEMBL6163751

O=C(OCc1ccccc1)c1nc(-c2c(Cl)cccc2Cl)[nH]c1COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.41
EPHX2 P34913 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
MMP1 P03956 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL6159643 0.91 CCKBR (0.40) CCKBREPHX2
SCHEMBL6158250 0.87 CCKBR (0.47) CCKBR
SCHEMBL6096321 0.79 CCKBR (0.61) CCKBREPHX2
SCHEMBL6160458 0.79 CCKBR (0.46) CCKBREPHX2MMP2MMP9MMP12
SCHEMBL6159236 0.79 CCKBR (0.45) CCKBR
SCHEMBL6159001 0.79 CCKBR (0.51) CCKBREPHX2
SCHEMBL6159330 0.77 CCKBR (0.70) CCKBR
SCHEMBL6157700 0.77 CCKBR (0.39) CCKBREPHX2
SCHEMBL6158857 0.76 CCKBR (0.59) CCKBREPHX2
SCHEMBL6158115 0.76 CCKBR (0.43) CCKBREPHX2GPBAR1

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 4 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
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed