SCHEMBL7913243

SCHEMBL7913243

COc1ccc(Cc2ccc(C(=O)C(C)(C)N)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
CNR1 P21554 2/20 0.41
PDE4D Q08499 1/20 0.40
CTSA P10619 6/20 0.38
CD274 Q9NZQ7 1/20 0.37
FBP1 P09467 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
PDE4B Q07343 1/20 0.35
GRM2 Q14416 2/20 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
SCHEMBL3791661 0.89 PDE4D (0.44) CNR2CNR1PDE4DCTSACD274
SCHEMBL3477920 0.88 PDE4D (0.41) CNR2CNR1PDE4DCTSACD274
SCHEMBL3465800 0.87 PDE4D (0.42) CNR2CNR1PDE4DCTSAFBP1
SCHEMBL3791280 0.86 PDE4D (0.39) CNR2CNR1PDE4DCTSACD274
SCHEMBL4530340 0.85 SCN9A (0.43) CNR2PDE4D
SCHEMBL4323845 0.84 PDE4B (0.37) CNR2CNR1PDE4DCTSAHCRTR1
SCHEMBL8068411 0.83 NR3C1 (0.38) CNR2CNR1PDE4DCTSAHCRTR1
SCHEMBL7902765 0.82 PDE4B (0.39) PDE4DCTSAFBP1HCRTR1HCRTR2
SCHEMBL3467151 0.82 PDE4B (0.39) PDE4DPDE4B
SCHEMBL7913060 0.82 PDE4D (0.40) CNR2CNR1PDE4DCTSACD274

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