SCHEMBL6163818

SCHEMBL6163818

CCOC(=O)c1nc(-c2ccc(F)cc2)[nH]c1CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 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
SCHEMBL6159594 0.92 KDM4E (0.41) KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL6160009 0.91 PPARG (0.43)
SCHEMBL6161519 0.88 ALDH1A1 (0.43)
SCHEMBL6158418 0.86 KDM4E (0.43) KDM4ETP53SMN1; SMN2HSD17B10GABRA2
SCHEMBL6160413 0.86
SCHEMBL6159901 0.85
SCHEMBL6158258 0.84
SCHEMBL6159483 0.84 SLC9A1 (0.41)
SCHEMBL6159224 0.84
SCHEMBL6157631 0.83

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