SCHEMBL1008449

SCHEMBL1008449

CCOCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 2/20 0.58
GRM5 P41594 1/20 0.51
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
MAOB P27338 2/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LTA4H P09960 1/20 0.46
PTGS2 P35354 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACHE P22303 1/20 0.46
MAOA P21397 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1985000 0.87 CHRNB2 (0.65) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
SCHEMBL31037156 0.87 CHRNB2 (0.65) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
SCHEMBL16178929 0.87 CHRNB2 (0.64) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
SCHEMBL29547480 0.86 CHRNB2 (0.65) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
Ammonia Solution, Strong SCHEMBL3031537 0.85 CHRNB2 (0.63) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL10551173 0.85 CHRNB2 (0.62) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL10551171 0.85 CHRNB2 (0.62) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL10551164 0.85 CHRNB2 (0.62) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
SCHEMBL5564381 0.85 CHRNB2 (0.50) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
SCHEMBL9795648 0.85 CHRNB2 (0.63) CHRNB2CHRNA4GRM5CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268632-A1 TERTIARY AMINE DERIVATIVES AS PHOSPHODIESTERASE-4 INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2011-01-05 EP disclosed
WO-2009127320-A1 TERTIARY AMINE DERIVATIVES AS PHOSPHODIESTERASE-4 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-10-22 WO disclosed
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
EP-1809622-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 WO disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 WO disclosed