SCHEMBL3429059

SCHEMBL3429059

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)NCc1cccc(-c2cccc(CC3CCNCC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.49
MAPK1 P28482 5/20 0.41
PDE7A Q13946 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
SCHEMBL4353544 0.95 PDE4B (0.48) PDE4BMAPK1
SCHEMBL3435295 0.95 PDE4B (0.48) PDE4BMAPK1PDE7A
SCHEMBL13750940 0.95 PDE4B (0.47) PDE4BMAPK1PDE7A
SCHEMBL4348674 0.94 PDE4B (0.47) PDE4BMAPK1PDE7A
SCHEMBL8003330 0.94 PDE4B (0.45) PDE4BMAPK1PDE7A
SCHEMBL1365092 0.94 PDE4B (0.50) PDE4BMAPK1
SCHEMBL4098467 0.94 PDE4B (0.50) PDE4BMAPK1
SCHEMBL8002791 0.93 PDE4B (0.44) PDE4BMAPK1
SCHEMBL8007729 0.93 PDE4B (0.44) PDE4BMAPK1
SCHEMBL4098888 0.92 PDE4B (0.49) 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 5 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 claimed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO claimed
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