SCHEMBL7904582

SCHEMBL7904582

COc1ccc(Cc2cccc(O)c2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.41
PDE4B Q07343 4/20 0.39
CALM1 P0DP23 1/20 0.39
SNCA P37840 1/20 0.37
GUSB P08236 1/20 0.37
PI4KB Q9UBF8 1/20 0.36
NR3C1 P04150 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL7911734 0.90 PDE4D (0.44) PDE4DPDE4BSNCAGUSB
SCHEMBL15906153 0.88 PDE4B (0.38) PDE4DPDE4BCALM1GUSBNR3C1
SCHEMBL3789377 0.87 PDE4D (0.39) PDE4DPDE4BCALM1NR3C1
SCHEMBL13578452 0.84 PDE4D (0.37) PDE4DPDE4BCALM1SNCACNR2
SCHEMBL4326850 0.84 TAAR1 (0.47) PDE4DPDE4BSNCA
SCHEMBL3790939 0.84 CYP19A1 (0.40) PDE4DPDE4B
SCHEMBL3791461 0.83 PDE4D (0.44) PDE4DPDE4BSNCA
SCHEMBL3467080 0.83 PDE4B (0.42) PDE4DPDE4BSNCANR3C1
SCHEMBL7902765 0.83 PDE4B (0.39) PDE4DPDE4B
SCHEMBL7918181 0.82 PDE4D (0.46) PDE4DPDE4BSNCACNR2

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-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