SCHEMBL31268448

SCHEMBL31268448

CCCOc1ccc(S(=O)(=O)N2CCC(C(C)(C)O)CC2)cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.84

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
SCHEMBL31268477 0.94 PDE5A (0.82) PDE5A
SCHEMBL22028290 0.91 PDE5A (1.00) PDE5A
SCHEMBL30823657 0.91 PDE5A (1.00) PDE5A
SCHEMBL20567832 0.90 PDE5A (1.00) PDE5A
SCHEMBL20568231 0.90 PDE5A (0.75) PDE5A
SCHEMBL30575412 0.90 PDE5A (0.75) PDE5A
SCHEMBL20568047 0.89 PDE5A (0.76) PDE5A
SCHEMBL30575418 0.89 PDE5A (0.76) PDE5A
SCHEMBL20570087 0.89 PDE5A (0.83) PDE5A
SCHEMBL20570083 0.89 PDE5A (0.83) PDE5A

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-119095598-A Transdermal administration form of dual-effect PDE5 inhibitors/organic nitrates for enhancing local blood flow 延世大学校产学协力团 2024-12-06 — — CN claimed
CN-119095598-A Transdermal administration form of dual-effect PDE5 inhibitors/organic nitrates for enhancing local blood flow 延世大学校产学协力团 2024-12-06 — — CN disclosed
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