SCHEMBL31064922

SCHEMBL31064922

CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC([C@H](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 6/20 0.70
PDE1B Q01064 6/20 0.70
PDE1C Q14123 6/20 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
SCHEMBL21995254 1.00 PDE5A (0.70) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995252 1.00 PDE5A (0.70) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995293 1.00 PDE5A (0.70) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995432 0.94 PDE5A (0.69) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL31064838 0.94 PDE5A (0.69) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995356 0.94 PDE5A (0.69) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995692 0.92 PDE5A (0.69) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL21995691 0.92 PDE5A (0.69) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL22041071 0.92 PDE5A (0.69) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL22041049 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 2 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-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