SCHEMBL4084557

SCHEMBL4084557

COC(=O)C12CC3CC(C1)C(N1CC(C)(c4ccc(F)c(F)c4)NC1=O)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
HSD11B1 P28845 13/20 0.37
CCR2 P41597 1/20 0.32
HSD11B2 P80365 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4079039 0.92 SCN9A (0.43) SCN9AHSD11B1HSD11B2ALDH1A1
SCHEMBL75657 0.89 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL72961 0.89 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL72960 0.89 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL4079305 0.87 TOP2A (0.39) SCN9AHSD11B1HSD11B2ALDH1A1
SCHEMBL75902 0.86 HSD11B1 (0.39) SCN9AHSD11B1HSD11B2
SCHEMBL4081955 0.86 DGAT1 (0.37) SCN9AHSD11B1HSD11B2
SCHEMBL74425 0.84 HSD11B1 (0.40) HSD11B1
SCHEMBL4089235 0.84 SCN9A (0.39) SCN9AHSD11B1
SCHEMBL4083612 0.84 SCN9A (0.39) SCN9AHSD11B1HSD11B2ALDH1A1

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-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed