SCHEMBL12823751

SCHEMBL12823751

CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN4CCOCC4)ccc3O)nn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.57
PDE1A P54750 4/20 0.53
PDE1B Q01064 4/20 0.53
PDE1C Q14123 4/20 0.53
POLB P06746 3/20 0.51
PDE4B Q07343 2/20 0.51
PDE6A P16499 2/20 0.50
PDE2A O00408 1/20 0.50
PDE6D O43924 1/20 0.50
PDE9A O76083 1/20 0.50
CHRM2 P08172 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PDE6G P18545 1/20 0.50
MAOA P21397 1/20 0.50
PDE4A P27815 1/20 0.50
ADORA1 P30542 1/20 0.50
ADRA1A P35348 1/20 0.50
PDE6B P35913 1/20 0.50
PDE6C P51160 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL12824023 0.93 PDE5A (0.57) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12822592 0.92 PDE5A (0.58) PDE5APDE1APDE1BPDE1CPOLB
SCHEMBL975385 0.89 PDE5A (0.72) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL974886 0.89 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPOLB
SCHEMBL12824031 0.85 PDE5A (0.72) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL8260052 0.84 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12922520 0.82 PDE5A (0.74) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823529 0.82 PDE5A (0.51) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL973718 0.82 PDE5A (0.73) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823746 0.81 PDE5A (0.64) 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