SCHEMBL9188944

SCHEMBL9188944

NC(=O)NCCC[C@H](N)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.58
DPP9 Q86TI2 1/20 0.58
TGM2 P21980 1/20 0.48
RAB9A P51151 1/20 0.47
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 2/20 0.42
HTR2A P28223 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9188939 1.00 DPP8 (0.58) DPP8DPP9TGM2RAB9AIDO1
Hydrochloric Acid SCHEMBL9187188 0.99 DPP8 (0.57) DPP8DPP9TGM2RAB9AIDO1
SCHEMBL9656657 0.83 DPP8 (0.55) DPP8DPP9TGM2RAB9AALDH1A1
SCHEMBL9763703 0.83 DPP8 (0.51) DPP8DPP9RAB9AIDO1ALDH1A1
SCHEMBL7351737 0.83 DPP8 (0.51) DPP8DPP9TGM2RAB9AIDO1
SCHEMBL598314 0.82 DPP8 (0.52) DPP8DPP9TGM2IDO1HTT
SCHEMBL598313 0.82 DPP8 (0.52) DPP8DPP9TGM2IDO1HTT
Hydrochloric Acid SCHEMBL10434967 0.81 DPP8 (0.50) DPP8DPP9RAB9AIDO1ALDH1A1
SCHEMBL8350753 0.81 RAB9A (0.52) DPP8DPP9RAB9AIDO1ALDH1A1
SCHEMBL16949548 0.81 HTR2A (0.52) DPP8DPP9TGM2RAB9AALDH1A1

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
EP-0514359-B1 Alkanoyl L-carnitine amides with aminoacids and pharmaceutical compositions containing same, for promoting regeneration of the nervous tissue, inhibiting neuronal degeneration, enhancing the processes of learning and memory, and for the treatment of coma SIGMA TAU IND FARMACEUTI (IT) 1995-09-13 EP disclosed
US-5270472-A Alkanoyl L-carnitine amides with aminoacids and pharmaceutical compositions containing same for promoting regeneration of the nervous tissue, inhibiting neuronal degeneration, enhancing the process of learning and memory and for the treatment of coma SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1993-12-14 US disclosed
EP-0514359-A2 Alkanoyl L-carnitine amides with aminoacids and pharmaceutical compositions containing same, for promoting regeneration of the nervous tissue, inhibiting neuronal degeneration, enhancing the processes of learning and memory, and for the treatment of coma Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-11-19 EP disclosed