SCHEMBL14067367

SCHEMBL14067367

O=[N+]([O-])c1ccc2c(c1)CN(CO)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.51
PNMT P11086 5/20 0.49
ADRA2A P08913 4/20 0.49
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
TLR9 Q9NR96 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TDP2 O95551 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
SCHEMBL2246314 0.85 DPP7 (0.53) DPP7PNMTADRA2AMEN1MAPT
SCHEMBL26640284 0.82 DPP7 (0.48) DPP7PNMTADRA2AMEN1MAPT
SCHEMBL17797541 0.81 PNMT (0.45) DPP7PNMTADRA2AMEN1MAPT
SCHEMBL21412716 0.81 HRH3 (0.55) DPP7MEN1MAPTKMT2ALMNA
SCHEMBL17797625 0.81 DPP7 (0.44) DPP7PNMTADRA2AMEN1MAPT
SCHEMBL1950140 0.81 GRIN1 (0.57) MAPTGRIN1GRIN2B
SCHEMBL1997187 0.80 MAPT (0.50) ADRA2AMEN1MAPTKMT2ALMNA
SCHEMBL29383310 0.80 DPP7 (0.43) DPP7PNMTADRA2AMEN1MAPT
Hydrochloric Acid SCHEMBL7511818 0.79 GRIN1 (0.56) MAPTGRIN1GRIN2B
SCHEMBL29945643 0.79 DPP7 (0.50) DPP7PNMTADRA2AMEN1MAPT

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-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed