SCHEMBL8065389

SCHEMBL8065389

COc1ccc(Cc2ccc(N3CCC[C@H]3C=O)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
FFAR1 O14842 2/20 0.35
PDE4B Q07343 5/20 0.35
ERBB2 P04626 2/20 0.33
USP2 O75604 2/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4D Q08499 3/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP4K1 Q92918 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
SCHEMBL7911285 0.95 PDE4B (0.37) GRM5HCRTR1HCRTR2FFAR1PDE4B
SCHEMBL3466926 0.88 ITGB2 (0.40) GRM5HCRTR1HCRTR2FFAR1
SCHEMBL3466742 0.88 ITGB2 (0.40) GRM5HCRTR1HCRTR2FFAR1
SCHEMBL3466737 0.88 ITGB2 (0.40) GRM5HCRTR1HCRTR2FFAR1
SCHEMBL13578422 0.87 GRM5 (0.35) GRM5HCRTR1HCRTR2FFAR1PDE4B
SCHEMBL8066363 0.87 HCRTR1 (0.37) GRM5HCRTR1HCRTR2FFAR1PDE4B
SCHEMBL3796897 0.87 FPR2 (0.40) GRM5HCRTR1HCRTR2FFAR1USP2
SCHEMBL3466119 0.87 GRM5 (0.39) GRM5HCRTR1HCRTR2FFAR1USP2
SCHEMBL3466121 0.87 GRM5 (0.39) GRM5HCRTR1HCRTR2FFAR1USP2
SCHEMBL3796904 0.87 FPR2 (0.40) GRM5HCRTR1HCRTR2FFAR1USP2

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed