SCHEMBL4088110

SCHEMBL4088110

COC(=O)C12CC3CC(C1)C(N1CC(Cc4ccccc4F)NC1=O)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
HSD11B1 P28845 12/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
DGAT1 O75907 1/20 0.33
HSD11B2 P80365 2/20 0.33
RAB9A P51151 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
SCHEMBL4088360 0.88 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL4092563 0.84 HSD11B1 (0.39) SCN9AHSD11B1ALDH1A1P2RX7
SCHEMBL4092189 0.81 HSD11B1 (0.39) SCN9AHSD11B1P2RX7HSD11B2
SCHEMBL4083612 0.74 SCN9A (0.39) SCN9AHSD11B1ALDH1A1P2RX7DGAT1
SCHEMBL4093078 0.72 HSD11B1 (0.48) HSD11B1HSD11B2
SCHEMBL4084557 0.67 SCN9A (0.39) SCN9AHSD11B1ALDH1A1HSD11B2
SCHEMBL28839563 0.67 DPP4 (0.40) ALDH1A1DPP4DPP8DPP7
SCHEMBL4089235 0.67 SCN9A (0.39) SCN9AHSD11B1
SCHEMBL4089109 0.66 HSD11B1 (0.39) SCN9AHSD11B1ALDH1A1HSD11B2
SCHEMBL78488 0.66 HSD11B1 (0.42) HSD11B1ALDH1A1HSD11B2

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