SCHEMBL6096460

SCHEMBL6096460

O=C(O)c1cccc2[nH]c(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)nc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.56
PARP1 P09874 4/20 0.41
DHODH Q02127 10/20 0.40

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
SCHEMBL6096366 0.91 CCKBR (0.52) CCKBRPARP1
SCHEMBL6094542 0.81 CCKBR (0.58) CCKBR
SCHEMBL6334098 0.77 CCKBR (0.49) CCKBR
SCHEMBL6334200 0.76 CCKBR (0.60) CCKBR
SCHEMBL6160427 0.76 CCKBR (0.69) CCKBR
SCHEMBL6095890 0.76 CCKBR (0.50) CCKBR
SCHEMBL6332196 0.76 CCKBR (0.52) CCKBR
SCHEMBL6334704 0.75 CCKBR (0.61) CCKBR
SCHEMBL6339248 0.75 CCKBR (0.61) CCKBR
SCHEMBL6158023 0.75 CCKBR (0.66) 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
US-7034048-B2 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2006-04-25 US disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed