SCHEMBL13694

SCHEMBL13694

CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OC)nn12

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.87
PDE1A P54750 7/20 0.87
PDE1B Q01064 7/20 0.87
PDE1C Q14123 7/20 0.87
PDE6A P16499 2/20 0.87
PDE4B Q07343 2/20 0.87
PDE2A O00408 1/20 0.87
PDE6D O43924 1/20 0.87
PDE9A O76083 1/20 0.87
CHRM2 P08172 1/20 0.87
ADORA3 P0DMS8 1/20 0.87
PDE6G P18545 1/20 0.87
MAOA P21397 1/20 0.87
PDE4A P27815 1/20 0.87
ADORA1 P30542 1/20 0.87
ADRA1A P35348 1/20 0.87
PDE6B P35913 1/20 0.87
PDE6C P51160 1/20 0.87
SLC6A3 Q01959 1/20 0.87
PDE4C Q08493 1/20 0.87

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
Vardenafil SCHEMBL5772 0.93 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A
Vardenafil SCHEMBL29390262 0.93 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A
Vardenafil SCHEMBL973820 0.92 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL31347918 0.92 PDE5A (0.90) PDE5APDE1APDE1BPDE1CPDE6A
Vardenafil SCHEMBL5685 0.92 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A
Vardenafil SCHEMBL5441 0.91 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL13825 0.91 PDE5A (0.73) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL13848 0.89 PDE5A (0.78) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL24418486 0.87 PDE5A (0.90) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL8211499 0.86 PDE5A (0.67) PDE5APDE1APDE1BPDE1CPDE6A

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-1174431-B1 2-Phenyl-substituited Imidazotriazinones as Phoshodiesterase Inhibitors Bayer Pharma AG (DE) 2012-05-30 EP disclosed
EP-1049695-B1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER AG (DE) 2002-02-13 EP disclosed