SCHEMBL3400356

SCHEMBL3400356

CC(C)COC(=O)N1CCC(Cc2cccc(-c3cc(C#N)ccn3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.49
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MET P08581 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CHRM4 P08173 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
GRIN2B Q13224 2/20 0.39
CA2 P00918 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 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
SCHEMBL1363871 0.86 MGLL (0.51) MGLLGPR119FAAH
SCHEMBL3402131 0.86 PPARG (0.42) MGLLPPARGPPARAGPR119GRIN2B
SCHEMBL3397914 0.79 PRMT5 (0.45) MGLLPPARGPPARAHRH3PRMT5
Hydrochloric Acid SCHEMBL3398254 0.78 PRMT5 (0.44) MGLLPPARGPPARAHRH3PRMT5
SCHEMBL3396290 0.75 PRMT5 (0.47) MGLLHRH3PRMT5WDR77L3MBTL1
SCHEMBL4050891 0.73 HRH2 (0.55) MGLLFNTAFNTBCHRM4HRH2
SCHEMBL5220949 0.73 PRMT5 (0.47) HRH3GPR119GRIN2BPRMT5WDR77
SCHEMBL1364206 0.71 HDAC1 (0.45) FNTAFNTBGPR119FAAH
SCHEMBL12062876 0.71 LOXL2 (0.39) MGLLGRIN2B
SCHEMBL6397967 0.70 MGLL (0.64) MGLLCHRM4GPR119

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-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed