SCHEMBL4607619

SCHEMBL4607619

CCCCCN(CC)S(=O)(=O)c1ccc(OCCC)c(-c2nn3c(CCC)nc(C)c3c(=O)[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.59
PDE1A P54750 5/20 0.59
PDE1B Q01064 5/20 0.59
PDE1C Q14123 5/20 0.59
PDE4B Q07343 2/20 0.59
PDE6A P16499 2/20 0.58
PDE2A O00408 1/20 0.58
PDE6D O43924 1/20 0.58
PDE9A O76083 1/20 0.58
CHRM2 P08172 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
PDE6G P18545 1/20 0.58
MAOA P21397 1/20 0.58
PDE4A P27815 1/20 0.58
ADORA1 P30542 1/20 0.58
ADRA1A P35348 1/20 0.58
PDE6B P35913 1/20 0.58
PDE6C P51160 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PDE4C Q08493 1/20 0.58

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
SCHEMBL975296 0.94 PDE5A (0.61) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL974265 0.94 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823752 0.93 PDE5A (0.60) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL974752 0.91 PDE5A (0.62) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL974189 0.89 PDE5A (0.61) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL975154 0.89 PDE5A (0.58) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL973032 0.88 PDE5A (0.68) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12070 0.88 PDE5A (0.71) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL8210613 0.88 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12823769 0.87 PDE5A (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871378-A1 USES OF 2-PHENYL-SUBSTITUTED IMIDAZOTRIAZINONE DERIVATIVES FOR TREATING PULMONARY HYPERTENSION Bayer HealthCare AG (DE) 2008-01-02 EP disclosed
WO-2006108506-A1 USES OF 2-PHENYL-SUBSTITUTED IMIDAZOTRIAZINONE DERIVATIVES FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2006-10-19 WO disclosed