SCHEMBL3428835

SCHEMBL3428835

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)NCc1ccc(OC)c(-c2cccc(C=O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.44
PDE5A O76074 4/20 0.38
ENPP2 Q13822 2/20 0.38
MAPK1 P28482 1/20 0.34

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
SCHEMBL4354587 0.96 PDE4B (0.44) PDE4BPDE5AENPP2MAPK1
SCHEMBL4351682 0.96 PDE4B (0.44) PDE4BPDE5AENPP2MAPK1
SCHEMBL4100526 0.94 PDE4B (0.45) PDE4BPDE5AENPP2
SCHEMBL1363076 0.94 PDE4B (0.45) PDE4BPDE5A
SCHEMBL1363719 0.92 PDE4B (0.44) PDE4BPDE5AENPP2
SCHEMBL3425602 0.92 PDE4B (0.46) PDE4BENPP2MAPK1
SCHEMBL3425060 0.91 PDE4B (0.45) PDE4BPDE5AENPP2MAPK1
SCHEMBL3428333 0.91 PDE4B (0.45) PDE4BMAPK1
SCHEMBL3426832 0.90 PDE4B (0.51) PDE4BMAPK1
SCHEMBL13750912 0.88 PDE4B (0.44) PDE4BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed