SCHEMBL12823968

SCHEMBL12823968

Cc1nc(C)n2nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3O)[nH]c(=O)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.63
PDE1A P54750 8/20 0.63
PDE1B Q01064 8/20 0.63
PDE1C Q14123 8/20 0.63
PDE4B Q07343 3/20 0.60
PDE6A P16499 3/20 0.51
PDE2A O00408 2/20 0.51
PDE6D O43924 2/20 0.51
PDE9A O76083 2/20 0.51
PDE6G P18545 2/20 0.51
PDE4A P27815 2/20 0.51
ADORA1 P30542 2/20 0.51
ADRA1A P35348 2/20 0.51
PDE6B P35913 2/20 0.51
PDE6C P51160 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
KCNH2 Q12809 2/20 0.51
PDE3B Q13370 2/20 0.51
CACNA1C Q13936 2/20 0.51

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
SCHEMBL12823740 0.90 PDE5A (0.78) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823021 0.90 PDE5A (0.58) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823515 0.89 PDE5A (0.57) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823745 0.88 PDE5A (0.57) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL8251760 0.88 PDE5A (0.78) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823513 0.88 PDE5A (0.58) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823970 0.87 PDE5A (0.60) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823741 0.85 PDE5A (0.54) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL974965 0.85 PDE5A (0.83) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823226 0.83 PDE5A (0.51) 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-2295436-A1 2-Phenyl-subsitituted Imidazotriazinones as Phosphodiesterase V inhibitors Bayer Schering Pharma AG (DE) 2011-03-16 EP disclosed