SCHEMBL3397620

SCHEMBL3397620

CC(C)COC(=O)N1CCC(=Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
GRM5 P41594 5/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 3/20 0.36
HRH1 P35367 1/20 0.35
SLC6A15 Q9H2J7 1/20 0.35
SRD5A1 P18405 1/20 0.35
KIT P10721 1/20 0.35
ROCK1 Q13464 1/20 0.35
LIPG Q9Y5X9 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
OGA O60502 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAP3K5 Q99683 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
LPL P06858 1/20 0.33

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
SCHEMBL13750914 0.87 SRD5A1 (0.38) GPR119GRM5CYP3A4CYP1A2SLC6A15
SCHEMBL3397617 0.83 USP30 (0.42) GPR119GRM5AAK1
SCHEMBL3400652 0.81 MCL1 (0.41) GPR119GRM5CYP3A4CYP1A2HRH1
SCHEMBL1985044 0.80 ALDH1A1 (0.41) KIT
SCHEMBL3399223 0.77 PRMT5 (0.42) LIPGPPARGPPARALPL
SCHEMBL3398110 0.76 GRM5 (0.52) GPR119GRM5CYP3A4CYP1A2HRH1
SCHEMBL22866678 0.71 ALDH1A1 (0.43) LIPGAAK1LPL
SCHEMBL8026194 0.71 GRM5 (0.38) GPR119GRM5OGA
SCHEMBL2374094 0.71 GPR119 (0.42) GPR119ROCK1AAK1
SCHEMBL4012501 0.71 P2RX7 (0.38) GPR119HRH1SLC6A15KITPPARG

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-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed