SCHEMBL8008701

SCHEMBL8008701

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)NCc1ccc(Cl)c(-c2cccc(CC3CCN(C)CC3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.44
MAPK1 P28482 8/20 0.37

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
SCHEMBL13750934 0.96 PDE4B (0.43) PDE4BMAPK1
SCHEMBL4098183 0.94 PDE4B (0.46) PDE4BMAPK1
SCHEMBL8011054 0.93 PDE4B (0.45) PDE4BMAPK1
SCHEMBL7999898 0.93 PDE4B (0.49) PDE4BMAPK1
SCHEMBL8014793 0.93 PDE4B (0.44) PDE4BMAPK1
SCHEMBL8002791 0.93 PDE4B (0.44) PDE4BMAPK1
SCHEMBL8012215 0.92 PDE4B (0.43) PDE4BMAPK1
SCHEMBL3426899 0.91 PDE4B (0.39) PDE4BMAPK1
SCHEMBL13750936 0.90 PDE4B (0.47) PDE4BMAPK1
SCHEMBL4355984 0.89 PDE4B (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed