SCHEMBL4653201

SCHEMBL4653201

C=CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Cc1nc2c(CCC)n[nH]c2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.47
PDE1A P54750 2/20 0.47
PDE1B Q01064 2/20 0.47
PDE1C Q14123 2/20 0.47
PDE6C P51160 2/20 0.47
PDE11A Q9HCR9 2/20 0.47
PDE2A O00408 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCC5 O15440 1/20 0.47
PDE6D O43924 1/20 0.47
PDE8A O60658 1/20 0.47
PDE9A O76083 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
PDE6A P16499 1/20 0.47
PDE6G P18545 1/20 0.47
PDE4A P27815 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL3671939 0.92 PDE5A (0.55) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL5988676 0.84 PDE5A (0.48) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6846835 0.83 PDE5A (0.51) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6850973 0.82 PDE5A (0.48) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL4653199 0.81 PDE5A (0.53) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL16972377 0.80 PDE5A (0.44) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL15264061 0.80 PDE5A (0.54) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL970 0.78 PDE5A (0.74) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL7432063 0.77 PDE5A (0.37) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL7362347 0.77 PDE5A (0.39) PDE5APDE1APDE1BPDE1CPDE6C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551416-A4 METHOD FOR TREATING ERECTILE DYSFUNCTION AND INCREASING LIBIDO IN MEN UNIMED PHARMACEUTICALS INC (US) 2008-04-23 EP disclosed
EP-1551416-A2 METHOD FOR TREATING ERECTILE DYSFUNCTION AND INCREASING LIBIDO IN MEN Unimed Pharmaceuticals, Inc. (US) 2005-07-13 EP disclosed
WO-2004037173-A2 METHOD FOR TREATING ERECTILE DYSFUNCTION AND INCREASING LIBIDO IN MEN UNIMED PHARMACEUTICALS, INC. (US) 2004-05-06 WO disclosed