SCHEMBL7911285

SCHEMBL7911285

COc1ccc(Cc2ccc(N3CC[C@H]3C=O)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.37
GRM5 P41594 2/20 0.34
PDE4D Q08499 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CTSA P10619 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
MAPK10 P53779 1/20 0.32
USP2 O75604 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
RAB9A P51151 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL8065389 0.95 GRM5 (0.37) PDE4BGRM5PDE4DHCRTR1HCRTR2
SCHEMBL3466221 0.87 GRM5 (0.37) PDE4BGRM5PDE4DHCRTR1HCRTR2
SCHEMBL3792867 0.87 GRM5 (0.37) PDE4BGRM5PDE4DHCRTR1HCRTR2
SCHEMBL13578424 0.87 GRM5 (0.37) PDE4BGRM5PDE4DHCRTR1HCRTR2
SCHEMBL13578423 0.87 GRM5 (0.37) PDE4BGRM5PDE4DHCRTR1HCRTR2
SCHEMBL3466246 0.87 GRM5 (0.37) PDE4BGRM5PDE4DHCRTR1HCRTR2
SCHEMBL4322265 0.86 EGFR (0.39) GRM5PDE4DHCRTR1HCRTR2SMN1; SMN2
SCHEMBL4322766 0.86 EGFR (0.39) GRM5PDE4DHCRTR1HCRTR2SMN1; SMN2
SCHEMBL3794589 0.86 EGFR (0.39) GRM5PDE4DHCRTR1HCRTR2SMN1; SMN2
Hydrochloric Acid SCHEMBL3790309 0.86 EGFR (0.38) GRM5PDE4DHCRTR1HCRTR2SMN1; SMN2

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