SCHEMBL3639481

SCHEMBL3639481

CC(C)COC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])c(OCC(F)(F)F)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
PTGDR Q13258 1/20 0.39
SIRT6 Q8N6T7 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR174 Q9BXC1 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PLK1 P53350 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 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
SCHEMBL310050 0.87 MAPT (0.48) MAPTALDH1A1LMNASIRT6GPR119
SCHEMBL3635783 0.86 SIRT6 (0.53) MAPTALDH1A1LMNAPTGDRSIRT6
SCHEMBL2203701 0.80 SIRT6 (0.61) MAPTALDH1A1LMNAPTGDRSIRT6
SCHEMBL310495 0.80 MAPT (0.48) MAPTALDH1A1LMNASIRT6SMN1; SMN2
SCHEMBL309972 0.78 MAPT (0.58) MAPTALDH1A1LMNAPTGDRSIRT6
SCHEMBL311262 0.77 MAPT (0.54) MAPTALDH1A1LMNAPTGDRSIRT6
SCHEMBL3503718 0.77 MAPT (0.43) MAPTALDH1A1LMNAPTGDRSIRT6
SCHEMBL25262102 0.77 ALDH1A1 (0.51) MAPTALDH1A1LMNASIRT6SMN1; SMN2
SCHEMBL517794 0.76 ALDH1A1 (0.55) MAPTALDH1A1LMNASIRT6PLK1
SCHEMBL520097 0.76 MAPT (0.54) MAPTALDH1A1LMNASIRT6CHRM2

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-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed