SCHEMBL3399223

SCHEMBL3399223

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1363539 0.84 USP30 (0.48) LPLLIPG
SCHEMBL3396290 0.81 PRMT5 (0.47) PRMT5WDR77KMT2AMEN1KCNH2
SCHEMBL1985044 0.80 ALDH1A1 (0.41) ALDH1A1
SCHEMBL1362568 0.78 LIPG (0.50) LPLLIPGKCNH2
SCHEMBL13700132 0.77 LIPG (0.57) LPLLIPG
SCHEMBL3397620 0.77 GPR119 (0.38) LPLLIPGPPARGPPARA
SCHEMBL3397914 0.77 PRMT5 (0.45) PRMT5WDR77KMT2AMEN1KCNH2
Hydrochloric Acid SCHEMBL3398254 0.76 PRMT5 (0.44) PRMT5WDR77KMT2AMEN1KCNH2
SCHEMBL21651732 0.73 LPL (0.44) KMT2AMEN1LPLLIPGL3MBTL1
SCHEMBL865392 0.73 GPR119 (0.49)

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 6 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-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 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-2009100169-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