SCHEMBL4083608

SCHEMBL4083608

CC(C)c1c(C2C3CC4CC(C3)CC2C4)[nH]c(=O)n1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TLR7 Q9NYK1 3/20 0.31
PDE5A O76074 2/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
TLR8 Q9NR97 2/20 0.31

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
SCHEMBL4082455 0.95 MEN1 (0.35) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4082103 0.80 MEN1 (0.42) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4088862 0.77
SCHEMBL4089119 0.74 MEN1 (0.38) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4078679 0.73 TLR7 (0.40) MEN1ALDH1A1KMT2AGRIN1GRIN2B
SCHEMBL4082407 0.66
SCHEMBL4078872 0.64 YTHDF2 (0.39)
SCHEMBL75582 0.64 HSD11B1 (0.33) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4081443 0.60
SCHEMBL74998 0.60 HSD11B1 (0.32)

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 4 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 claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
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