SCHEMBL9735813

SCHEMBL9735813

O=C1CCC(C(=O)N2CCN(CCN3CCCCC3)CC2)N1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
PARP1 P09874 1/20 0.44
TGM2 P21980 1/20 0.43
NAMPT P43490 6/20 0.42
EPHX2 P34913 1/20 0.39
HSD11B1 P28845 1/20 0.38
CNR2 P34972 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
WNT3 P56703 1/20 0.36
SFRP1 Q8N474 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR2 O43614 1/20 0.36
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35

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
Maleic Acid SCHEMBL9735554 0.91 TPSAB1 (0.43) TPSAB1TPSD1TPSG1PARP1TGM2
Fumaric Acid SCHEMBL9735558 0.91 TPSAB1 (0.43) TPSAB1TPSD1TPSG1PARP1TGM2
SCHEMBL9735044 0.87 TPSAB1 (0.46) TPSAB1TPSD1TPSG1PARP1TGM2
Fasoracetam SCHEMBL23922653 0.86 HPGD (0.47) TPSAB1TPSD1TPSG1PARP1TGM2
Fasoracetam SCHEMBL9734362 0.86 HPGD (0.47) TPSAB1TPSD1TPSG1PARP1TGM2
Fasoracetam SCHEMBL194771 0.86 HPGD (0.47) TPSAB1TPSD1TPSG1PARP1TGM2
Fasoracetam SCHEMBL194770 0.86 HPGD (0.47) TPSAB1TPSD1TPSG1PARP1TGM2
SCHEMBL9735864 0.86 HPGD (0.47) TPSAB1TPSD1TPSG1PARP1TGM2
SCHEMBL9734899 0.86 GAA (0.54) TPSAB1TPSD1TPSG1PARP1TGM2
SCHEMBL9735768 0.85 GAA (0.49) TPSAB1TPSD1TPSG1PARP1TGM2

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