SCHEMBL8011333

SCHEMBL8011333

Bc1cccc(CNC(=O)NCc2c(CC)nc3c(cnn3CC)c2NC2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.54
MAPK1 P28482 5/20 0.40

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
SCHEMBL8025048 0.93 PDE4B (0.56) PDE4BMAPK1
SCHEMBL13760231 0.92 PDE4B (0.52) PDE4B
SCHEMBL3430624 0.91 PDE4B (0.54) PDE4BMAPK1
SCHEMBL13761141 0.91 PDE4B (0.54) PDE4BMAPK1
SCHEMBL1435171 0.91 PDE4B (0.66) PDE4BMAPK1
SCHEMBL8014784 0.89 PDE4B (0.50) PDE4B
SCHEMBL8008747 0.88 PDE4B (0.49) PDE4BMAPK1
SCHEMBL3426832 0.87 PDE4B (0.51) PDE4BMAPK1
SCHEMBL8002737 0.87 PDE4B (0.48) PDE4B
SCHEMBL1434643 0.86 PDE4B (0.58) 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