SCHEMBL4089109

SCHEMBL4089109

COC(=O)C12CC3CC(C1)C(N1CC(C)(c4ccccc4)N(C)C1=O)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.39
SIGMAR1 Q99720 1/20 0.38
HSD11B2 P80365 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 2/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 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
SCHEMBL4088428 0.90 HSD11B1 (0.39) HSD11B1HSD11B2SCN9A
SCHEMBL75654 0.89 HSD11B1 (0.42) HSD11B1HSD11B2ALDH1A1
SCHEMBL75774 0.83 HSD11B1 (0.48) HSD11B1
SCHEMBL75923 0.72 HSD11B1 (0.49) HSD11B1
SCHEMBL77369 0.72 HSD11B1 (0.44) HSD11B1
SCHEMBL4081955 0.72 DGAT1 (0.37) HSD11B1HSD11B2KMT2ASCN9A
SCHEMBL75902 0.72 HSD11B1 (0.39) HSD11B1HSD11B2SCN9A
SCHEMBL1116549 0.72 HSD11B1 (0.41) HSD11B1ALDH1A1
SCHEMBL4083612 0.71 SCN9A (0.39) HSD11B1HSD11B2SCN9AALDH1A1
SCHEMBL4083851 0.71 SCN9A (0.39) 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