SCHEMBL5198403

SCHEMBL5198403

C=CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C1=Nc2c(nn(C)c2CCC)C(=O)[N]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.45
PDE1A P54750 3/20 0.45
PDE1B Q01064 3/20 0.45
PDE1C Q14123 3/20 0.45
PDE4B Q07343 2/20 0.45
PDE2A O00408 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCC5 O15440 1/20 0.45
PDE6D O43924 1/20 0.45
PDE8A O60658 1/20 0.45
PDE9A O76083 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
PDE6A P16499 1/20 0.45
PDE6G P18545 1/20 0.45
PDE4A P27815 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL3453681 0.91 PDE5A (0.53) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL7450974 0.84 PDE5A (0.45) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL7449440 0.83 PDE5A (0.56) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5076135 0.82 PDE5A (0.54) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL5795456 0.79 CA12 (0.59) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL15112594 0.77 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL7428002 0.76 PDE5A (0.34) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5201813 0.74 NPSR1 (0.41) PDE5APDE6CCA12CA9
SCHEMBL1516 0.72 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL7782809 0.70 PDE5A (0.55) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
EP-0702555-A1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE Pfizer Limited (GB) 1996-03-27 EP claimed
WO-1994028902-A1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE PFIZER LIMITED (GB) 1994-12-22 WO claimed
EP-1868590-A2 METHOD OF INCREASING TESTOSTERONE AND RELATED STEROID CONCENTRATIONS IN WOMEN Unimed Pharmaceuticals, Inc. (US) 2007-12-26 EP disclosed
WO-2006113242-A2 METHOD OF INCREASING TESTOSTERONE AND RELATED STEROID CONCENTRATIONS IN WOMEN UNIMED PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
EP-1404343-A4 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OF HORMONE DEFICIENCIES SOLVAY PHARMACEUTICALS INC (US) 2006-08-02 EP disclosed
EP-1511494-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION Unimed Pharmaceuticals, Inc. (US) 2005-03-09 EP disclosed
WO-2004091631-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION UNIMED PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP disclosed
EP-1404343-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OF HORMONE DEFICIENCIES Solvay Pharmaceuticals, Inc. (US) 2004-04-07 EP disclosed
WO-2003002123-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OF HORMONE DEFICIENCIES SOLVAY PHARMACEUTICALS, INC. (US) 2003-01-09 WO disclosed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO disclosed
EP-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO disclosed
EP-0702555-A1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE Pfizer Limited (GB) 1996-03-27 EP disclosed
WO-1994028902-A1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE PFIZER LIMITED (GB) 1994-12-22 WO disclosed