SCHEMBL16656261

SCHEMBL16656261

CC(=O)CN1CCN(CCC(=O)O)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
PLA2G10 O15496 2/20 0.34
PLA2G5 P39877 2/20 0.34
CACNA1H O95180 1/20 0.34
PAOX Q6QHF9 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
APEX1 P27695 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
KCNA3 P22001 1/20 0.31

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
SCHEMBL20678135 0.94 GLA (0.43) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL15938241 0.94 GLA (0.43) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL16656254 0.92 CYP1A2 (0.45) PLA2G10PLA2G5CACNA1HPAOXSMN1; SMN2
SCHEMBL16656264 0.90 PAOX (0.44) PLA2G10PLA2G5CACNA1HPAOXSMN1; SMN2
SCHEMBL10016097 0.88 HSD17B10 (0.38) PLA2G10PLA2G5CACNA1HSMN1; SMN2CHRM2
SCHEMBL14680626 0.87 PLA2G10 (0.38) PLA2G10PLA2G5CACNA1HSMN1; SMN2CYP1A2
SCHEMBL12158286 0.87 GLA (0.38) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL20678137 0.86 SIGMAR1 (0.40) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL20678139 0.85 HSD17B10 (0.36) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL17119745 0.85 HSD17B10 (0.36) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2

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
US-9012604-B2 Triazanonane derivatives or pharmaceutically acceptable salt thereof for enhanced fluorine-18 labeling Snur & DB Foundation (KR) 2015-04-21 US disclosed