SCHEMBL9763703

SCHEMBL9763703

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51
HTR2A P28223 1/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 1/20 0.48
IDO1 P14902 2/20 0.48
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAOB P27338 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
AKR1C3 P42330 1/20 0.43

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
Hydrochloric Acid SCHEMBL10434967 0.99 DPP8 (0.50) DPP8DPP9HTR2AALDH1A1RAB9A
SCHEMBL7351737 0.87 DPP8 (0.51) DPP8DPP9HTR2ARAB9AIDO1
SCHEMBL27542540 0.85 IDO1 (0.51) DPP8DPP9HTR2AALDH1A1RAB9A
SCHEMBL29071562 0.84 POLB (0.50) HTR2AALDH1A1RAB9AIDO1HTT
SCHEMBL10445821 0.84 DPP8 (0.48) DPP8DPP9HTR2AALDH1A1RAB9A
SCHEMBL8602149 0.83 HTR2A (0.47) DPP8DPP9HTR2AALDH1A1RAB9A
SCHEMBL8602153 0.83 HTR2A (0.47) DPP8DPP9HTR2AALDH1A1RAB9A
SCHEMBL8350753 0.83 RAB9A (0.52) DPP8DPP9HTR2AALDH1A1RAB9A
SCHEMBL9188944 0.83 DPP8 (0.58) DPP8DPP9HTR2AALDH1A1RAB9A
SCHEMBL9188939 0.83 DPP8 (0.58) DPP8DPP9HTR2AALDH1A1RAB9A

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-5021439-A Senile dementia and memory dysfunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-04 US disclosed