SCHEMBL7738205

SCHEMBL7738205

CCOc1ccc(S(=O)(=O)NCCCCCO)cc1-c1nn2c(C3CCCC3)nnc2c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.68
PDE1A P54750 7/20 0.68
PDE1B Q01064 6/20 0.68
PDE1C Q14123 6/20 0.68
PDE2A O00408 1/20 0.56
PDE9A O76083 1/20 0.56
PDE4A P27815 1/20 0.56
PDE6C P51160 1/20 0.56
PDE11A Q9HCR9 1/20 0.56
PDE10A Q9Y233 1/20 0.56
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL7738215 0.99 PDE5A (0.69) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL7740247 0.97 PDE5A (0.70) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL7740263 0.91 PDE5A (0.63) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL7740251 0.89 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL7736985 0.88 PDE5A (0.60) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL7740279 0.87 PDE5A (0.60) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL7738299 0.87 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL7738272 0.87 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL7731162 0.86 PDE5A (0.64) PDE5APDE1APDE1BPDE1C
SCHEMBL7737752 0.86 PDE5A (0.68) PDE5APDE1APDE1BPDE1CPDE2A

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
US-6683081-B2 INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOPHATE METABOLIZING PHOSPHODIESTERASES BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-6683081-B2 INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOPHATE METABOLIZING PHOSPHODIESTERASES BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed