SCHEMBL2565734

SCHEMBL2565734

CCCCCCCCc1nc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)[nH]c(=O)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
PDE6C P51160 3/20 0.65
PDE6D O43924 2/20 0.65
PDE6A P16499 2/20 0.65
PDE6G P18545 2/20 0.65
PDE6B P35913 2/20 0.65
PDE6H Q13956 2/20 0.65
PDE11A Q9HCR9 2/20 0.65
PDE2A O00408 1/20 0.65
ABCC4 O15439 1/20 0.65
ABCC5 O15440 1/20 0.65
PDE8A O60658 1/20 0.65
PDE9A O76083 1/20 0.65
ABCB11 O95342 1/20 0.65
CYP3A4 P08684 1/20 0.65
HTR1A P08908 1/20 0.65
PDE4A P27815 1/20 0.65
ADORA2A P29274 1/20 0.65
ADORA1 P30542 1/20 0.65
ADRA1A P35348 1/20 0.65

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
SCHEMBL2566260 0.87 PDE5A (0.79) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2566248 0.85 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16198806 0.83 PDE5A (0.71) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2562843 0.83 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2568836 0.83 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2568411 0.82 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL2568801 0.81 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL6645339 0.80 PDE5A (0.73) PDE5APDE6CPDE6DPDE6APDE6G
Sildenafil SCHEMBL6689399 0.80 PDE5A (0.98) PDE5APDE6CPDE6DPDE6APDE6G
Sildenafil SCHEMBL1801562 0.80 PDE5A (0.98) PDE5APDE6CPDE6DPDE6APDE6G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 EP claimed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US claimed
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 EP claimed
EP-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 EP disclosed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US disclosed
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 EP disclosed