SCHEMBL4777607

SCHEMBL4777607

NC(=NO)c1cccc2c1Oc1ccccc1C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 2/20 0.34
HTR2B P41595 2/20 0.34
PARP1 P09874 4/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR7 P34969 1/20 0.31
MAPKAPK2 P49137 2/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL4668365 0.81 MAOA (0.50) MAOAMAOBLMNAGAATRPA1
SCHEMBL4668382 0.81 PARP1 (0.53) MAOAMAOBLMNATRPA1HTR2B
SCHEMBL7325719 0.76 MAOA (0.52) MAOAMAOBGAATRPA1MAPT
SCHEMBL31069904 0.74 MAOA (0.48) MAOAMAOBTRPA1HTR2BPARP1
SCHEMBL8961832 0.74 MAOA (0.48) MAOAMAOBTRPA1PARP1CYP2C9
SCHEMBL4777601 0.73 MAOA (0.47) MAOAMAOBGAA
SCHEMBL13777196 0.72 MAOA (0.73) MAOAMAOBLMNAGAAMAPT
SCHEMBL4669601 0.72 MAOA (0.59) MAOAMAOBLMNAGAAMAPT
SCHEMBL5094900 0.72 MAOA (0.59) MAOAMAOBLMNAGAAL3MBTL1
SCHEMBL27714413 0.72 TRPA1 (0.54) MAOAMAOBLMNAGAAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed