SCHEMBL8031034

SCHEMBL8031034

CC1c2ccc([N+](=O)[O-])cc2CCN1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.55
DRD1 P21728 3/20 0.55
MAOA P21397 3/20 0.49
HIF1A Q16665 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
SIRT6 Q8N6T7 1/20 0.45
PNMT P11086 3/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
CHRNA7 P36544 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 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
SCHEMBL8015301 0.88 HTR1A (0.52) HTR1ADRD1MAOAHIF1ASMN1; SMN2
Hydrochloric Acid SCHEMBL7509854 0.87 HTR1A (0.51) HTR1ADRD1MAOAHIF1ASMN1; SMN2
SCHEMBL28294149 0.85 DRD1 (0.55) HTR1ADRD1HIF1ASMN1; SMN2HTT
SCHEMBL2272695 0.80 HTR1A (0.47) HTR1ADRD1HIF1ASMN1; SMN2HTT
SCHEMBL1950525 0.74 PNMT (0.54) HTR1ADRD1HIF1ASMN1; SMN2HTT
SCHEMBL4752284 0.73 MAOA (0.56) HTR1ADRD1MAOAADRA2CDRD2
SCHEMBL3950020 0.73 MAOA (0.56) HTR1ADRD1MAOAADRA2CDRD2
SCHEMBL8032013 0.73 MAOA (0.56) HTR1AMAOADRD2HTR2A
SCHEMBL8011243 0.73 MAOA (0.56) HTR1AMAOAPNMTADRA2AADRA2B
SCHEMBL25338505 0.72 MAOA (0.66) MAOASMN1; SMN2HTTNCOA1NCOA3

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-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed