SCHEMBL31268446

SCHEMBL31268446

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

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.80
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL30575410 0.89 PDE5A (1.00) PDE5A
SCHEMBL20568337 0.89 PDE5A (1.00) PDE5A
SCHEMBL20568340 0.89 PDE5A (1.00) PDE5A
SCHEMBL20569997 0.89 PDE5A (1.00) PDE5A
SCHEMBL30575411 0.89 PDE5A (1.00) PDE5A
SCHEMBL29188678 0.86 PDE5A (0.66) PDE5AHDAC1HDAC6
SCHEMBL20567816 0.82 PDE5A (1.00) PDE5A
SCHEMBL20570051 0.82 PDE5A (1.00) PDE5A
SCHEMBL22028288 0.82 PDE5A (1.00) PDE5A
SCHEMBL22065426 0.80 PDE5A (0.88) 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 1 patent. 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
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