SCHEMBL3787901

SCHEMBL3787901

COc1ccc(Cc2ccc(CCN)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.41
PDE4D Q08499 3/20 0.41
MAOB P27338 2/20 0.39
HRH1 P35367 1/20 0.38
LMNA P02545 1/20 0.36
FYN P06241 1/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
CTSA P10619 1/20 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
Hydrochloric Acid SCHEMBL3786246 0.99 PDE4B (0.41) PDE4BPDE4DMAOBHRH1LMNA
SCHEMBL3468023 0.92 PDE4B (0.42) PDE4BPDE4DLMNAFYNMAPK9
SCHEMBL3798675 0.88 PDE4B (0.42) PDE4BPDE4DLMNAFYNMAPK10
SCHEMBL3467151 0.86 PDE4B (0.39) PDE4BPDE4DFYN
SCHEMBL3467239 0.86 PDE4B (0.41) PDE4BPDE4DFYNMAPK10CTSA
Hydrochloric Acid SCHEMBL3788941 0.85 PDE4D (0.43) PDE4BPDE4DLMNA
SCHEMBL4323960 0.85 PDE4B (0.41) PDE4BPDE4DLMNAMAPK9MAPK10
SCHEMBL7914640 0.85 KDR (0.45) PDE4BPDE4DMAOBFYNCTSA
SCHEMBL8067934 0.85 PDE4B (0.41) PDE4BPDE4DMAPK10CTSA
SCHEMBL4325092 0.84 PDE4B (0.39) PDE4BPDE4DFYNMAPK10CTSA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed