SCHEMBL3399375

SCHEMBL3399375

CC1CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.42
LPL P06858 1/20 0.42
MGLL Q99685 7/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 2/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL3399142 1.00 LIPG (0.42) LIPGLPLMGLLPTGDR2OPRM1
SCHEMBL25425656 0.87 LIPG (0.40) LIPGLPLOPRM1OPRK1MEN1
SCHEMBL1363047 0.86 USP30 (0.40) LIPGLPLMGLLPTGDR2CCR1
SCHEMBL8020161 0.86 USP30 (0.40) LIPGLPLMGLLPTGDR2CCR1
SCHEMBL12062822 0.86 LIPG (0.38) LIPGLPLMGLLPTGDR2OPRM1
SCHEMBL1363050 0.85 LIPG (0.39) LIPGLPLOPRM1OPRK1MEN1
SCHEMBL3045151 0.82 LIPG (0.47) LIPGLPLMEN1KMT2A
SCHEMBL4055766 0.80 KDM4E (0.52) MGLLMEN1KMT2A
SCHEMBL14645770 0.78 MGLL (0.56) MGLLPTGDR2CCR1CHRM4
SCHEMBL722120 0.76 LPL (0.52) LIPGLPL

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-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed