SCHEMBL7740252

SCHEMBL7740252

CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2OC)cc1-c1nn2c(C3CCCC3)nnc2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.61
PDE1A P54750 11/20 0.61
PDE1B Q01064 11/20 0.61
PDE1C Q14123 11/20 0.61
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
PDE4B Q07343 2/20 0.38
PDE2A O00408 1/20 0.38
PDE6D O43924 1/20 0.38
PDE9A O76083 1/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
MAOA P21397 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL7738220 0.88 PDE5A (0.63) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL7737752 0.87 PDE5A (0.68) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL7738249 0.87 PDE5A (0.63) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL7731030 0.86 PDE5A (0.60) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL7740245 0.85 PDE5A (0.59) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL7731010 0.85 PDE5A (0.64) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL7738216 0.85 PDE5A (0.63) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL7740251 0.84 PDE5A (0.64) PDE5APDE1APDE1BPDE1CHTT
SCHEMBL7738228 0.83 PDE5A (0.65) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL6361664 0.83 PDE5A (0.71) PDE5APDE1APDE1BPDE1CPDE4B

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