SCHEMBL31064833

SCHEMBL31064833

CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(CC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-])CC4)ccc3OCC)nn12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.70
PDE1A P54750 7/20 0.70
PDE1B Q01064 7/20 0.70
PDE1C Q14123 7/20 0.70
PDE4B Q07343 2/20 0.70
PDE6A P16499 2/20 0.69
PDE2A O00408 1/20 0.69
PDE6D O43924 1/20 0.69
PDE9A O76083 1/20 0.69
CHRM2 P08172 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
PDE6G P18545 1/20 0.69
MAOA P21397 1/20 0.69
PDE4A P27815 1/20 0.69
ADORA1 P30542 1/20 0.69
ADRA1A P35348 1/20 0.69
PDE6B P35913 1/20 0.69
PDE6C P51160 1/20 0.69
SLC6A3 Q01959 1/20 0.69
PDE4C Q08493 1/20 0.69

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
SCHEMBL21995372 1.00 PDE5A (0.70) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995397 0.96 PDE5A (0.67) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL31064888 0.96 PDE5A (0.67) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL22041072 0.91 PDE5A (0.73) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL22041079 0.90 PDE5A (0.71) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL22041438 0.90 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995694 0.88 PDE5A (0.70) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL28917971 0.87 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995254 0.87 PDE5A (0.70) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995252 0.87 PDE5A (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166157-B Double-acting mode soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-08-27 CN claimed
CN-116120300-B Pyrimidine compound containing hydroxamic acid fragment, and preparation method and application thereof 贵州大学 2024-10-15 CN disclosed
CN-113166157-B Double-acting mode soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-08-27 CN disclosed