SCHEMBL7913060

SCHEMBL7913060

C=S(C)(=O)NC(=O)c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.40
CNR2 P34972 3/20 0.39
CTSA P10619 3/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
CNR1 P21554 1/20 0.37
SCN9A Q15858 4/20 0.37
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
FBP1 P09467 1/20 0.35

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
SCHEMBL4530340 0.93 SCN9A (0.43) PDE4DCNR2SCN9A
SCHEMBL3465800 0.87 PDE4D (0.42) PDE4DCNR2CTSAHCRTR1HCRTR2
SCHEMBL3477920 0.86 PDE4D (0.41) PDE4DCNR2CTSAHCRTR1HCRTR2
SCHEMBL3791661 0.85 PDE4D (0.44) PDE4DCNR2CTSAHCRTR1HCRTR2
SCHEMBL3791280 0.84 PDE4D (0.39) PDE4DCNR2CTSAHCRTR1HCRTR2
SCHEMBL3467145 0.83 CNR2 (0.41) PDE4DCNR2CTSAHCRTR1HCRTR2
SCHEMBL3785842 0.83 HTT (0.41) PDE4DSCN9A
SCHEMBL7913243 0.82 CNR2 (0.41) PDE4DCNR2CTSAHCRTR1HCRTR2
SCHEMBL7902765 0.80 PDE4B (0.39) PDE4DCTSAHCRTR1HCRTR2FBP1
SCHEMBL3467149 0.80 PDE4D (0.43) PDE4DHCRTR1HCRTR2FBP1

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed