SCHEMBL13825

SCHEMBL13825

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.73
PDE1A P54750 8/20 0.73
PDE1B Q01064 8/20 0.73
PDE1C Q14123 8/20 0.73
PDE4B Q07343 3/20 0.73
PDE6A P16499 3/20 0.72
PDE2A O00408 2/20 0.72
PDE6D O43924 2/20 0.72
PDE9A O76083 2/20 0.72
PDE6G P18545 2/20 0.72
PDE4A P27815 2/20 0.72
ADORA1 P30542 2/20 0.72
ADRA1A P35348 2/20 0.72
PDE6B P35913 2/20 0.72
PDE6C P51160 2/20 0.72
PDE4C Q08493 2/20 0.72
PDE4D Q08499 2/20 0.72
KCNH2 Q12809 2/20 0.72
PDE3B Q13370 2/20 0.72
CACNA1C Q13936 2/20 0.72

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
SCHEMBL12823772 0.93 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL13694 0.91 PDE5A (0.87) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL8256987 0.87 PDE5A (0.82) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL8256126 0.86 PDE5A (0.73) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL8211499 0.85 PDE5A (0.67) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823625 0.85 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5537 0.84 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL24430082 0.84 PDE5A (0.88) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL974583 0.83 PDE5A (0.89) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL14752434 0.83 PDE5A (0.87) PDE5APDE1APDE1BPDE1CPDE4B

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-1049695-B1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER AG (DE) 2002-02-13 EP disclosed