SCHEMBL8020161

SCHEMBL8020161

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
MGLL Q99685 5/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
GLS O94925 1/20 0.35
SETD7 Q8WTS6 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
CCR1 P32246 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL1363047 1.00 USP30 (0.40) USP30LPLLIPGMGLLPRMT5
SCHEMBL3399375 0.86 LIPG (0.42) LPLLIPGMGLLPTGDR2CCR1
SCHEMBL3399142 0.86 LIPG (0.42) LPLLIPGMGLLPTGDR2CCR1
SCHEMBL12062822 0.86 LIPG (0.38) LPLLIPGMGLLPTGDR2CCR1
SCHEMBL3041956 0.84 GLS (0.47) USP30LPLLIPGMGLLPRMT5
SCHEMBL29964482 0.84 GLS (0.47) USP30LPLLIPGMGLLPRMT5
SCHEMBL1632681 0.82 POLB (0.47) USP30MGLLNR1H2NR1H3GPR119
SCHEMBL19459436 0.80 SETD7 (0.49) USP30SETD7PDK1PDK2PDK3
SCHEMBL13954894 0.80 PTGDR2 (0.52) MGLLPTGDR2CCR1
SCHEMBL25425656 0.80 LIPG (0.40) LPLLIPG

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
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