SCHEMBL4083211

SCHEMBL4083211

O=C1[N]C(Cc2cccc(F)c2)=CN1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 1/20 0.42
OPRK1 P41145 1/20 0.37
DAO P14920 1/20 0.34
IDH1 O75874 1/20 0.34
HSD11B1 P28845 2/20 0.34
CCR2 P41597 1/20 0.34
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL4083856 0.72
SCHEMBL4079057 0.71 HSD11B1 (0.35) HSD11B1
SCHEMBL77947 0.70 DAO (0.42) CHRM2CHRM4CHRM5OPRK1DAO
SCHEMBL4089108 0.70
SCHEMBL4082509 0.66 HSD11B1 (0.38) OPRK1HSD11B1SMN1; SMN2EPHX2
SCHEMBL2169951 0.65 CHRM2 (0.48) CHRM2CHRM4CHRM5OPRK1ALDH1A1
SCHEMBL4082846 0.63 HSD11B1 (0.31) HSD11B1
SCHEMBL3359980 0.62 SLC6A2 (0.59) CHRM2CHRM4CHRM5OPRK1HRH1
SCHEMBL4078411 0.62
SCHEMBL3300303 0.61 TAAR1 (0.60) DAOIDH1HCAR2ALDH1A1SMN1; SMN2

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