SCHEMBL4258533

SCHEMBL4258533

COC(=O)C12CC3CC(C1)C(N1CC4(CCCC4)NC1=O)C(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 10/20 0.35
SCN9A Q15858 2/20 0.35
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
HSD11B2 P80365 3/20 0.31
POLB P06746 1/20 0.30
GLA P06280 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL4261014 0.85 HSD11B1 (0.36) ALDH1A1HSD11B1HSD11B2POLB
SCHEMBL74485 0.79 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL4260940 0.76 HSD11B1 (0.33) ALDH1A1L3MBTL1HSD11B1SCN9ASCN1A
SCHEMBL4084557 0.75 SCN9A (0.39) ALDH1A1HSD11B1SCN9AHSD11B2
SCHEMBL4079305 0.75 TOP2A (0.39) ALDH1A1L3MBTL1HSD11B1SCN9AHSD11B2
SCHEMBL75228 0.75 HSD11B1 (0.35) HSD11B1
SCHEMBL75902 0.75 HSD11B1 (0.39) HSD11B1SCN9AHSD11B2
SCHEMBL4081955 0.75 DGAT1 (0.37) HSD11B1SCN9AHSD11B2
SCHEMBL4083851 0.74 SCN9A (0.39) HSD11B1SCN9AHSD11B2
SCHEMBL4083612 0.74 SCN9A (0.39) ALDH1A1HSD11B1SCN9AHSD11B2

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