SCHEMBL9736168

SCHEMBL9736168

O=C1CCC(C(=O)N2CCN(C(=O)CCCNC(=O)OCc3ccccc3)CC2)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.55
TPSD1 Q9BZJ3 3/20 0.55
TPSG1 Q9NRR2 3/20 0.55
PREP P48147 2/20 0.51
HTT P42858 1/20 0.50
GAA P10253 1/20 0.48
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NAMPT P43490 2/20 0.44
DPP8 Q6V1X1 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGM2 P21980 1/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL13780326 0.81 SMN1; SMN2 (0.56) HTTGAANAMPTMEN1KMT2A
SCHEMBL9734538 0.81 SMN1; SMN2 (0.56) HTTGAANAMPTMEN1KMT2A
SCHEMBL18152298 0.80 HTT (0.65) TPSAB1TPSD1TPSG1PREPHTT
SCHEMBL11266194 0.79 HTT (0.63) TPSAB1TPSD1TPSG1PREPHTT
SCHEMBL14295143 0.79 HTT (0.67) TPSAB1TPSD1TPSG1PREPHTT
SCHEMBL9736171 0.79 NAMPT (0.41) TPSAB1TPSD1TPSG1GAANAMPT
SCHEMBL9734867 0.78 SMN1; SMN2 (0.53) HTTGAANAMPTMEN1KMT2A
SCHEMBL9737216 0.78 SMN1; SMN2 (0.48) HTTGAANAMPTMEN1KMT2A
SCHEMBL9737233 0.77 L3MBTL1 (0.53) TPSAB1TPSD1TPSG1HTTGAA
SCHEMBL7685914 0.77 GAA (0.67) TPSAB1TPSD1TPSG1PREPHTT

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-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed