SCHEMBL8063138

SCHEMBL8063138

BCc1ccc(OC(F)F)c(-c2cccc(Cl)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.63
PDE4D Q08499 2/20 0.41
TAAR1 Q96RJ0 2/20 0.39
MAOB P27338 2/20 0.36
F11 P03951 1/20 0.35
TDO2 P48775 1/20 0.35
SLC6A9 P48067 1/20 0.34
BACE1 P56817 1/20 0.34
FAAH O00519 2/20 0.33
PDE4A P27815 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL3790138 0.86 PDE4B (0.63) PDE4BPDE4DTAAR1MAOBF11
SCHEMBL3465815 0.86 PDE4B (0.63) PDE4BPDE4DTAAR1F11SLC6A9
SCHEMBL31297174 0.83 PDE4B (0.59) PDE4BPDE4DTAAR1PDE4AMEN1
SCHEMBL8069736 0.82 PDE4B (0.60) PDE4BPDE4DTAAR1
SCHEMBL3796788 0.78 PDE4B (0.54) PDE4BPDE4DF11SLC6A9FAAH
SCHEMBL3466495 0.78 PDE4B (0.54) PDE4BPDE4DTAAR1F11TDO2
SCHEMBL15195923 0.78 PDE4B (0.53) PDE4BPDE4DF11TDO2BACE1
SCHEMBL7911270 0.78 PDE4B (0.53) PDE4BPDE4DTAAR1F11TDO2
Hydrochloric Acid SCHEMBL3788377 0.77 PDE4B (0.53) PDE4BPDE4DTAAR1MAOBF11
SCHEMBL31297173 0.77 PDE4B (0.53) PDE4BPDE4DTAAR1F11BACE1

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