SCHEMBL8212467

SCHEMBL8212467

CCCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2cc(N)c(N)cc2c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.71
▸ PDE6C P51160 2/20 0.63
▸ PDE11A Q9HCR9 1/20 0.63
▸ PDE6D O43924 1/20 0.61
▸ PDE6A P16499 1/20 0.61
▸ PDE6G P18545 1/20 0.61
▸ PDE6B P35913 1/20 0.61
▸ PDE6H Q13956 1/20 0.61

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
SCHEMBL7368497 0.96 PDE5A (0.77) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL7377912 0.92 PDE5A (0.65) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL7372999 0.88 PDE5A (0.69) PDE5APDE6CPDE11A
SCHEMBL7378244 0.87 PDE5A (0.70) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL7407534 0.87 PDE5A (0.92) PDE5APDE6CPDE11A
SCHEMBL7369832 0.86 PDE5A (0.65) PDE5APDE6CPDE11A
SCHEMBL7373698 0.84 PDE5A (0.72) PDE5APDE6CPDE11A
SCHEMBL688703 0.83 PDE5A (1.00) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL7373885 0.82 PDE5A (0.71) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL8206815 0.81 PDE5A (0.58) 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-6087368-A AN ENZYME INHIBITOR TREATING ERECTILE DYSFUNCTION OF SEX DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-07-11 — — US disclosed
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