SCHEMBL4089235

SCHEMBL4089235

COC(=O)C12CC3CC(C1)C(N1CC(C)(c4ccc(F)cc4F)NC1=O)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
HSD11B1 P28845 13/20 0.37
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
OPRK1 P41145 1/20 0.33
CNR2 P34972 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
SCHEMBL76140 0.89 HSD11B1 (0.43) HSD11B1
SCHEMBL4083612 0.89 SCN9A (0.39) SCN9AHSD11B1CNR2
SCHEMBL75282 0.84 HSD11B1 (0.43) HSD11B1
SCHEMBL4084557 0.84 SCN9A (0.39) SCN9AHSD11B1
SCHEMBL4079039 0.82 SCN9A (0.43) SCN9AHSD11B1
SCHEMBL4083851 0.81 SCN9A (0.39) SCN9AHSD11B1CNR2
SCHEMBL4079305 0.79 TOP2A (0.39) SCN9AHSD11B1KMT2ABACE1BACE2
SCHEMBL4081955 0.78 DGAT1 (0.37) SCN9AHSD11B1KMT2A
SCHEMBL75902 0.78 HSD11B1 (0.39) SCN9AHSD11B1
SCHEMBL75857 0.77 HSD11B1 (0.48) HSD11B1

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