SCHEMBL22043075

SCHEMBL22043075

CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(CCO)CC4)ccc3OCC)nn12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.80
PDE1A P54750 6/20 0.80
PDE1B Q01064 6/20 0.80
PDE1C Q14123 6/20 0.80
PDE4B Q07343 2/20 0.78
PDE6A P16499 2/20 0.77
PDE2A O00408 1/20 0.77
PDE6D O43924 1/20 0.77
PDE9A O76083 1/20 0.77
CHRM2 P08172 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
PDE6G P18545 1/20 0.77
MAOA P21397 1/20 0.77
PDE4A P27815 1/20 0.77
ADORA1 P30542 1/20 0.77
ADRA1A P35348 1/20 0.77
PDE6B P35913 1/20 0.77
PDE6C P51160 1/20 0.77
SLC6A3 Q01959 1/20 0.77
PDE4C Q08493 1/20 0.77

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
SCHEMBL12823139 0.94 PDE5A (0.80) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL23370689 0.93 PDE5A (0.76) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL22041438 0.92 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5606 0.92 PDE5A (0.81) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823808 0.91 PDE5A (0.83) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL22041042 0.91 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL22041087 0.91 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL28917971 0.91 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL24239271 0.91 PDE5A (0.77) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL22041434 0.91 PDE5A (0.77) 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
WO-2020109354-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2020-06-04 WO disclosed