SCHEMBL31098366

SCHEMBL31098366

CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.85
PDE1A P54750 7/20 0.85
PDE1B Q01064 7/20 0.85
PDE1C Q14123 7/20 0.85
PDE6A P16499 2/20 0.82
PDE4B Q07343 2/20 0.82
PDE2A O00408 1/20 0.82
PDE6D O43924 1/20 0.82
PDE9A O76083 1/20 0.82
CHRM2 P08172 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
PDE6G P18545 1/20 0.82
MAOA P21397 1/20 0.82
PDE4A P27815 1/20 0.82
ADORA1 P30542 1/20 0.82
ADRA1A P35348 1/20 0.82
PDE6B P35913 1/20 0.82
PDE6C P51160 1/20 0.82
SLC6A3 Q01959 1/20 0.82
PDE4C Q08493 1/20 0.82

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
SCHEMBL13111970 1.00 PDE5A (0.85) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL974965 0.92 PDE5A (0.83) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL974297 0.92 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL19197262 0.92 PDE5A (0.88) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL13384838 0.92 PDE5A (0.82) PDE5APDE1APDE1BPDE1CPDE6A
Vardenafil SCHEMBL5772 0.90 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A
Vardenafil SCHEMBL29390262 0.90 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL973597 0.90 PDE5A (0.77) PDE5APDE1APDE1BPDE1CPDE6A
Vardenafil SCHEMBL973820 0.90 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A
Vardenafil SCHEMBL5685 0.90 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6A

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-118858490-A Method for detecting active ingredients and related substances of vardenafil hydrochloride orally disintegrating tablet 江西汇仁药业股份有限公司 2024-10-29 CN claimed
CN-118994164-A Synthesis method of vardenafil impurity derivative 西安市食品药品检验所 2024-11-22 CN disclosed