SCHEMBL3134403

SCHEMBL3134403

CC(C)COC(=O)N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CHRM1 P11229 2/20 0.49
CHRM2 P08172 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 6/20 0.48
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
RECQL P46063 1/20 0.42
GAA P10253 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALOX12 P18054 1/20 0.40

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
SCHEMBL3133674 0.86 L3MBTL1 (0.52) TDP1ALDH1A1HTTL3MBTL1GAA
SCHEMBL22852237 0.82 MAPK1 (0.53) TP53TDP1CHRM1CHRM2L3MBTL1
SCHEMBL3636863 0.78 TP53 (0.44) TP53TDP1CHRM1CHRM2ALDH1A1
SCHEMBL5225927 0.77 CHRM1 (0.46) TP53TDP1CHRM1CHRM2ALDH1A1
SCHEMBL310402 0.77 ALDH1A1 (0.51) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14344122 0.75 ALDH1A1 (0.64) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5249314 0.75 GPR119 (0.45) TP53TDP1CHRM1CHRM2HTT
SCHEMBL704010 0.75 RAB9A (0.51) CHRM1CHRM2ALDH1A1L3MBTL1GPR119
SCHEMBL794087 0.74 RAB9A (0.50) CHRM1CHRM2ALDH1A1L3MBTL1GPR119
SCHEMBL8262844 0.74 RAB9A (0.50) CHRM1CHRM2ALDH1A1L3MBTL1GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
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