SCHEMBL4347591

SCHEMBL4347591

CCCc1nc(C)c2c(=O)[nH]c(-c3cccc(S(=O)(=O)N(CCC)CCO)c3OCC)nn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.59
PDE1A P54750 8/20 0.59
PDE1B Q01064 8/20 0.59
PDE1C Q14123 8/20 0.59
HDAC1 Q13547 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
PDE4B Q07343 2/20 0.48
HDAC2 Q92769 3/20 0.48
PDE6A P16499 2/20 0.48
PDE2A O00408 1/20 0.48
PDE6D O43924 1/20 0.48
PDE9A O76083 1/20 0.48
CHRM2 P08172 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
PDE6G P18545 1/20 0.48
MAOA P21397 1/20 0.48
PDE4A P27815 1/20 0.48
ADORA1 P30542 1/20 0.48
ADRA1A P35348 1/20 0.48
PDE6B P35913 1/20 0.48

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
SCHEMBL4338924 0.83 PDE5A (0.68) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL8218943 0.81 PDE5A (0.70) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL8257008 0.80 PDE5A (0.54) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL12822873 0.79 PDE5A (0.67) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL974189 0.79 PDE5A (0.61) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL6793077 0.79 PDE5A (0.61) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL974600 0.79 PDE5A (0.55) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL973032 0.78 PDE5A (0.68) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL18184293 0.78 PDE5A (0.70) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL12823651 0.78 PDE5A (0.65) PDE5APDE1APDE1BPDE1CHDAC1

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-2009013286-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO claimed