SCHEMBL4083467

SCHEMBL4083467

N#CC1CCCN(Cc2cccc(N)c2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.47
CCR2 P41597 4/20 0.47
ROCK1 Q13464 4/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PRMT6 Q96LA8 1/20 0.42
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
PDE2A O00408 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6567147 0.92 ROCK2 (0.47) ROCK2CCR2ROCK1L3MBTL3CHRM2
SCHEMBL7419564 0.86 LTA4H (0.43) ROCK2CCR2ROCK1PRMT6SIGMAR1
SCHEMBL6646032 0.83 CYP2D6 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL21178265 0.80 ALDH1A1 (0.68) ROCK2CCR2ROCK1CYP1A2CYP3A4
SCHEMBL13242846 0.76 PRMT6 (0.62) CYP2D6CYP2C19ALDH1A1PRMT6MBTD1
SCHEMBL833409 0.76 PRMT6 (0.68) CYP2D6CYP2C19ALDH1A1PRMT6MBTD1
SCHEMBL30469295 0.76 PRMT6 (0.68) CYP2D6CYP2C19ALDH1A1PRMT6MBTD1
SCHEMBL923368 0.75 PRMT6 (0.66) CYP2D6CYP2C19ALDH1A1PRMT6MBTD1
SCHEMBL3566828 0.75 PRMT6 (0.66) CYP2D6CYP2C19ALDH1A1PRMT6MBTD1
SCHEMBL607249 0.74 ACHE (0.53) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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