SCHEMBL5830653

SCHEMBL5830653

CCCOc1ccc(S(=O)(=O)N2CCCN(C)CC2)cc1-c1cc2c([nH]1)c1nncn1c(=O)n2CCC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.51
PDE6C P51160 1/20 0.48
PDE11A Q9HCR9 1/20 0.48

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
SCHEMBL5831080 0.97 PDE5A (0.54) PDE5APDE6CPDE11A
SCHEMBL5830586 0.92 PDE5A (0.59) PDE5A
SCHEMBL5830162 0.91 PDE5A (0.54) PDE5A
SCHEMBL5830283 0.89 PDE5A (0.56) PDE5A
SCHEMBL5827907 0.87 PDE5A (0.65) PDE5APDE6CPDE11A
SCHEMBL5830233 0.86 PDE5A (0.52) PDE5APDE6CPDE11A
SCHEMBL5262294 0.86 PDE5A (0.52) PDE5APDE6CPDE11A
SCHEMBL6311874 0.86 PDE5A (0.61) PDE5APDE6CPDE11A
SCHEMBL5261816 0.85 PDE5A (0.51) PDE5APDE6CPDE11A
SCHEMBL5263935 0.85 PDE5A (0.41) 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
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US disclosed