SCHEMBL8550139

SCHEMBL8550139

O=C(O)CN1CCNC(CCCNC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
GAA P10253 2/20 0.48
PKM P14618 2/20 0.44
ACE P12821 2/20 0.44
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 3/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
TGM2 P21980 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
FOLH1 Q04609 1/20 0.43
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 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
SCHEMBL5995725 0.89 GAA (0.48) HTTGAAPKMKEAP1NFE2L2
SCHEMBL19474290 0.82 GAA (0.45) HTTGAAKEAP1NFE2L2IDO1
SCHEMBL7309092 0.79 MEN1 (0.40) GAAACE
SCHEMBL7309103 0.79 MEN1 (0.40) GAAACE
Hydrochloric Acid SCHEMBL7287900 0.79 GLA (0.59) GAAPKMACESMN1; SMN2
Hydrochloric Acid SCHEMBL7287909 0.79 GLA (0.59) GAAPKMACESMN1; SMN2
SCHEMBL13220374 0.78 HTT (0.46) HTTGAAACEKEAP1NFE2L2
SCHEMBL13354866 0.78 PKM (0.52) GAAPKMIDO1
SCHEMBL8553717 0.78 ITGB3 (0.51) HTTITGB3
Hydrochloric Acid SCHEMBL7284411 0.76 GLA (0.49) GAAPKMSMN1; 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
EP-0822931-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed