SCHEMBL8699077

SCHEMBL8699077

CCOC(=O)CC1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.49
ADRA2A P08913 3/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
DGAT1 O75907 1/20 0.48
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6669085 0.81 PNMT (0.51) PNMTADRA2AADRA2BADRA2C
SCHEMBL31683946 0.79 PNMT (0.64) PNMTADRA2AADRA2BADRA2C
SCHEMBL2246761 0.77 GAA (0.47) MAPTALDH1A1GAAMAPK1KMT2A
SCHEMBL2245283 0.77 PNMT (0.46) PNMTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL14508405 0.77 CA1 (0.41) MAPTALDH1A1GAAKMT2A
SCHEMBL12355694 0.76 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL2246074 0.76 PNMT (0.62) PNMTADRA2AADRA2BADRA2C
SCHEMBL1016536 0.76 MAPT (0.43) PNMTADRA2AADRA2BADRA2CDGAT1
SCHEMBL17248041 0.75 MAPT (0.54) PNMTADRA2AADRA2BADRA2CMAPT
SCHEMBL31334246 0.75 MAPT (0.61) DGAT1MAPTLMNAALDH1A1MAPK1

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
WO-1998005651-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYL QUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1998-02-12 WO disclosed