SCHEMBL7541539

SCHEMBL7541539

CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(c(=O)[nH]c(=O)n2CCC)n1C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.62
PDE1A P54750 5/20 0.58
PDE1B Q01064 5/20 0.58
PDE1C Q14123 5/20 0.58
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
PDE6C P51160 1/20 0.51
PDE11A Q9HCR9 1/20 0.51

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
SCHEMBL7427820 0.89 PDE5A (0.58) PDE5APDE6CPDE11A
SCHEMBL7425142 0.84 PDE5A (0.57) PDE5APDE6CPDE11A
SCHEMBL5827328 0.79 PDE5A (0.89) PDE5APDE6CPDE11A
SCHEMBL6647593 0.78 PDE5A (0.74) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL975193 0.78 PDE5A (0.90) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL5827692 0.78 PDE5A (0.69) PDE5APDE1APDE1BPDE1C
SCHEMBL2567308 0.78 PDE5A (0.83) PDE5APDE3BPDE3APDE6CPDE11A
SCHEMBL439392 0.78 PDE5A (0.78) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6309324 0.77 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL1190 0.77 PDE5A (0.90) PDE5APDE1APDE1BPDE1CPDE3B

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
WO-1999062905-A1 8-PHENYLXANTHINE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 1999-12-09 WO claimed