SCHEMBL7740295

SCHEMBL7740295

CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1-c1nn2c(C3CCCC3)nnc2c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.68
PDE1A P54750 8/20 0.68
PDE1B Q01064 8/20 0.68
PDE1C Q14123 8/20 0.68
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7736977 0.89 PDE5A (0.58) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7740251 0.87 PDE5A (0.64) PDE5APDE1APDE1BPDE1C
SCHEMBL7738293 0.86 PDE5A (0.61) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7740247 0.86 PDE5A (0.70) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7740263 0.86 PDE5A (0.63) PDE5APDE1APDE1BPDE1C
SCHEMBL7737750 0.86 PDE5A (0.78) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7738215 0.85 PDE5A (0.69) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7738205 0.85 PDE5A (0.68) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7731162 0.84 PDE5A (0.64) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL7738355 0.84 PDE5A (0.61) PDE5APDE1APDE1BPDE1CALDH1A1

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