SCHEMBL5831080

SCHEMBL5831080

CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc2c([nH]1)c1nncn1c(=O)n2CCC

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.54
PDE6C P51160 1/20 0.51
PDE11A Q9HCR9 1/20 0.51

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
SCHEMBL5830653 0.97 PDE5A (0.51) PDE5APDE6CPDE11A
SCHEMBL5830586 0.95 PDE5A (0.59) PDE5A
SCHEMBL5830162 0.94 PDE5A (0.54) PDE5A
SCHEMBL5830283 0.92 PDE5A (0.56) PDE5A
SCHEMBL5830233 0.89 PDE5A (0.52) PDE5APDE6CPDE11A
SCHEMBL5263935 0.87 PDE5A (0.41) PDE5A
SCHEMBL5260190 0.87 PDE5A (0.54) PDE5A
SCHEMBL5827646 0.86 PDE5A (0.69) PDE5APDE6CPDE11A
SCHEMBL5260296 0.85 PDE5A (0.55) PDE5APDE6CPDE11A
SCHEMBL4055148 0.85 PDE5A (0.64) PDE5APDE6CPDE11A

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
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US disclosed