SCHEMBL3796536

SCHEMBL3796536

COc1ccc(Cc2ccc(CCN3CCC3)nc2)cc1-c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.52
PDE4D Q08499 3/20 0.48
HRH3 Q9Y5N1 1/20 0.45
TNIK Q9UKE5 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
LTA4H P09960 2/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
AVPR1B P47901 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL4330740 0.82 PDE4B (0.53) PDE4BPDE4D
SCHEMBL3788986 0.82 PDE4D (0.58) PDE4BPDE4DMAPK9MAPK10MAPK14
SCHEMBL8067088 0.82 PDE4D (0.58) PDE4BPDE4DMAPK9MAPK10MAPK14
Hydrochloric Acid SCHEMBL4333031 0.81 PDE4D (0.57) PDE4BPDE4DMAPK9MAPK10MAPK14
SCHEMBL3795876 0.79 PDE4D (0.55) PDE4BPDE4DMAPK9MAPK10MAPK14
SCHEMBL4325690 0.79 PDE4B (0.50) PDE4BPDE4DTNIKMAPK10
SCHEMBL7911614 0.78 PDE4D (0.60) PDE4BPDE4DMAPK10
SCHEMBL3466293 0.78 PDE4D (0.57) PDE4BPDE4DMAPK9MAPK10MAPK14
SCHEMBL7917989 0.76 PDE4D (0.59) PDE4BPDE4DMAPK10
SCHEMBL3806088 0.76 PDE4B (0.64) PDE4BPDE4DTNIK

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