SCHEMBL4078679

SCHEMBL4078679

CC(C)c1c(C2C3CC4CC(C3)CC2C4)[nH]c(=O)n1Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.40
GRIN1 Q05586 10/20 0.39
GRIN2B Q13224 10/20 0.39
LMNA P02545 2/20 0.36
HSD11B1 P28845 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NOX4 Q9NPH5 2/20 0.35
TPH1 P17752 1/20 0.35
TPH2 Q8IWU9 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL76480 0.72 ALDH1A1 (0.39) LMNAHSD11B1DDB1CRBNNOX4
SCHEMBL14123133 0.68 GRIN1 (0.53) TLR7GRIN1GRIN2BDDB1CRBN
SCHEMBL2170191 0.65 HSD11B1 (0.41) LMNAHSD11B1DDB1CRBNMEN1
SCHEMBL5827636 0.64 TLR7 (0.49) TLR7GRIN1GRIN2BLMNADDB1
SCHEMBL30615329 0.64 LMNA (0.56) GRIN1GRIN2BLMNAMEN1ALDH1A1
SCHEMBL4293641 0.64 LMNA (0.56) GRIN1GRIN2BLMNAMEN1ALDH1A1
SCHEMBL8592487 0.63 TLR7 (0.51) TLR7GRIN1GRIN2BTPH1TPH2
SCHEMBL6087851 0.62 GRIN1 (0.45) TLR7GRIN1GRIN2BNOX4TPH1
SCHEMBL77108 0.62 ALDH1A1 (0.40) LMNAHSD11B1DDB1CRBNMEN1
SCHEMBL6982033 0.62 ALDH1A1 (0.64) MEN1ALDH1A1KMT2A

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