SCHEMBL4082103

SCHEMBL4082103

O=c1[nH]c(C2C3CC4CC(C3)CC2C4)c(C2CC2)n1CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 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
SCHEMBL4083608 0.80 MEN1 (0.40) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4089119 0.78 MEN1 (0.38) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4078872 0.76 YTHDF2 (0.39)
SCHEMBL4082455 0.75 MEN1 (0.35) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL77115 0.62 HSD11B1 (0.31) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL1943792 0.61 ALDH1A1 (0.54) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL1546788 0.61 ALDH1A1 (0.54) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4082407 0.60
SCHEMBL4088862 0.60
SCHEMBL4081443 0.60

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