SCHEMBL3402131

SCHEMBL3402131

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
GPR119 Q8TDV5 1/20 0.40
GRIN2B Q13224 4/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
USP19 O94966 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
MGLL Q99685 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL3397914 0.90 PRMT5 (0.45) PPARGPPARAPRMT5WDR77MGLL
Hydrochloric Acid SCHEMBL3398254 0.89 PRMT5 (0.44) PPARGPPARAPRMT5WDR77MGLL
SCHEMBL3400356 0.86 MGLL (0.49) PPARGPPARAGPR119GRIN2BPRMT5
SCHEMBL1364206 0.85 HDAC1 (0.45) GPR119FAAH
SCHEMBL12062876 0.85 LOXL2 (0.39) GRIN2BUSP19LOXL2MGLL
SCHEMBL3396290 0.77 PRMT5 (0.47) PRMT5WDR77MGLLMEN1KMT2A
SCHEMBL5220949 0.76 PRMT5 (0.47) GPR119GRIN2BPRMT5WDR77MEN1
SCHEMBL3402093 0.74 ALDH1A1 (0.48) MGLLMEN1KMT2AFAAH
SCHEMBL1363667 0.74 KDM4E (0.48) GPR119F2F10PLGST14
SCHEMBL12062875 0.73 MGLL (0.42) MGLLF2F10PLGST14

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-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