SCHEMBL8017640

SCHEMBL8017640

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(OC)c(C)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.51
PDE5A O76074 4/20 0.43
ENPP2 Q13822 1/20 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
SCHEMBL13761220 0.93 PDE4B (0.51) PDE4BPDE5A
SCHEMBL8023899 0.93 PDE4B (0.50) PDE4BPDE5A
SCHEMBL3428877 0.93 PDE4B (0.50) PDE4BPDE5A
SCHEMBL8015116 0.93 PDE4B (0.54) PDE4B
SCHEMBL8017772 0.91 PDE4B (0.48) PDE4BPDE5A
SCHEMBL13761244 0.91 PDE4B (0.49) PDE4BPDE5AENPP2
SCHEMBL8016479 0.91 PDE4B (0.52) PDE4BPDE5A
SCHEMBL8006553 0.89 PDE4B (0.52) PDE4B
SCHEMBL3431416 0.89 PDE4B (0.52) PDE4B
SCHEMBL12062945 0.89 PDE4B (0.48) PDE4BPDE5A

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-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed