SCHEMBL4081955

SCHEMBL4081955

COC(=O)C12CC3CC(C1)C(N1CC(C)(c4ccc5ccccc5c4)NC1=O)C(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 3/20 0.35
HSD11B2 P80365 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SCN9A Q15858 2/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
OPRM1 P35372 1/20 0.34
ADAM17 P78536 1/20 0.33
EPHX2 P34913 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
SCHEMBL75617 0.89 HSD11B1 (0.46) DGAT1KMT2AHSD11B1HSD11B2PRMT5
SCHEMBL4084557 0.86 SCN9A (0.39) HSD11B1HSD11B2SCN9A
SCHEMBL4079305 0.86 TOP2A (0.39) KMT2AHSD11B1HSD11B2SCN9A
SCHEMBL75902 0.85 HSD11B1 (0.39) HSD11B1HSD11B2SCN9A
SCHEMBL75977 0.84 HSD11B1 (0.42) KMT2AHSD11B1PRMT5WDR77
SCHEMBL4079039 0.84 SCN9A (0.43) HSD11B1HSD11B2SCN9A
SCHEMBL4083851 0.81 SCN9A (0.39) HSD11B1HSD11B2SCN9A
SCHEMBL4083612 0.81 SCN9A (0.39) DGAT1HSD11B1HSD11B2SCN9A
SCHEMBL4089235 0.78 SCN9A (0.39) KMT2AHSD11B1SCN9A
SCHEMBL4258533 0.75 ALDH1A1 (0.36) HSD11B1HSD11B2SCN9A

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