SCHEMBL4083612

SCHEMBL4083612

COC(=O)C12CC3CC(C1)C(N1CC(C)(c4ccccc4F)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 0.38
ALDH1A1 P00352 2/20 0.37
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RX7 Q99572 1/20 0.34
HSD11B2 P80365 2/20 0.34
DGAT1 O75907 1/20 0.33

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
SCHEMBL4089235 0.89 SCN9A (0.39) SCN9AHSD11B1CNR2
SCHEMBL4083851 0.89 SCN9A (0.39) SCN9AHSD11B1CNR2P2RX7HSD11B2
SCHEMBL75857 0.88 HSD11B1 (0.48) HSD11B1HSD11B2
SCHEMBL75638 0.84 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL4084557 0.84 SCN9A (0.39) SCN9AHSD11B1ALDH1A1HSD11B2
SCHEMBL4079039 0.81 SCN9A (0.43) SCN9AHSD11B1ALDH1A1NPSR1HSD11B2
SCHEMBL74426 0.81 HSD11B1 (0.41) HSD11B1ALDH1A1CNR2SMN1; SMN2NPSR1
SCHEMBL4081955 0.81 DGAT1 (0.37) SCN9AHSD11B1HSD11B2DGAT1
SCHEMBL75902 0.79 HSD11B1 (0.39) SCN9AHSD11B1NPSR1P2RX7HSD11B2
SCHEMBL4079305 0.78 TOP2A (0.39) SCN9AHSD11B1ALDH1A1CNR2P2RX7

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
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