SCHEMBL6158250

SCHEMBL6158250

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.47
SCN9A Q15858 1/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
P2RX7 Q99572 2/20 0.35
GUSB P08236 1/20 0.34

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
SCHEMBL6159236 0.88 CCKBR (0.45) CCKBRSCN9AGUSB
SCHEMBL6163751 0.87 CCKBR (0.41) CCKBR
SCHEMBL6159330 0.85 CCKBR (0.70) CCKBR
SCHEMBL6158857 0.80 CCKBR (0.59) CCKBR
SCHEMBL6159643 0.77 CCKBR (0.40) CCKBR
SCHEMBL6159677 0.76 CCKBR (0.68) CCKBR
SCHEMBL6159328 0.73 CCKBR (0.50) CCKBRSCN9A
SCHEMBL6159765 0.73 CCKBR (0.56) CCKBRSCN9A
SCHEMBL6159755 0.72 CCKBR (0.68) CCKBR
SCHEMBL6338361 0.72 CCKBR (0.44) 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 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