SCHEMBL13761240

SCHEMBL13761240

CC(C)(C)OC(=O)N1CCN(Cc2cccc(BO)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.49
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ TBK1 Q9UHD2 2/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ TDO2 P48775 1/20 0.45
▸ IDO2 Q6ZQW0 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ VEGFA P15692 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ TP53 P04637 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL29910448 0.84 GLS (0.52) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL4710410 0.84 GLS (0.52) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL13236926 0.84 GLS (0.54) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL2194827 0.84 KDM1A (0.57) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL8540779 0.84 ALDH1A1 (0.63) GLSCHRM2CHRM3ALDH1A1HTT
SCHEMBL4837787 0.84 GLS (0.54) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL24732680 0.83 PRMT6 (0.54) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL3155717 0.83 MEN1 (0.58) GLSALDH1A1VEGFAEGLN1HTT
SCHEMBL266762 0.83 GLS (0.51) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL8536087 0.83 CYP2D6 (0.61) GLSIDO1TDO2IDO2ALDH1A1

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 1 patent. 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
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