SCHEMBL8798709

SCHEMBL8798709

CCOC(=O)CC(C)N1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.48
MAPT P10636 7/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.46
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
AKR1C3 P42330 1/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL8608562 0.82 NR1H2 (0.46) DPP7MAPTKDM4ESIGMAR1ALDH1A1
SCHEMBL8606342 0.80 DRD2 (0.50) DPP7MAPTLMNASIGMAR1DRD2
SCHEMBL38658114 0.80 DPP7 (0.51) DPP7MAPTLMNASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7298994 0.79 DRD2 (0.49) DPP7MAPTLMNASIGMAR1DRD2
SCHEMBL8607230 0.78 DRD2 (0.53) MAPTKDM4ESIGMAR1DRD2ALDH1A1
SCHEMBL8798204 0.78 AKR1C3 (0.45) DPP7MAPTLMNAKDM4ESIGMAR1
SCHEMBL30561509 0.78 PNMT (0.47) DPP7MAPTLMNAKDM4EDRD2
SCHEMBL1951319 0.78 PNMT (0.47) DPP7MAPTLMNAKDM4EDRD2
SCHEMBL12549292 0.78 SMN1; SMN2 (0.48) MAPTLMNAKDM4ESIGMAR1DRD2
Hydrochloric Acid SCHEMBL7511812 0.77 DPP7 (0.46) DPP7MAPTLMNAKDM4ESIGMAR1

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-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 EP disclosed