SCHEMBL8004030

SCHEMBL8004030

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.53
PDE7A Q13946 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL3431474 0.90 PDE4B (0.55) PDE4BPDE7APDE3BPDE3A
SCHEMBL3430760 0.90 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL3430500 0.89 PDE4B (0.53) PDE4B
SCHEMBL8025048 0.87 PDE4B (0.56) PDE4B
SCHEMBL4524139 0.86 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL3429211 0.86 PDE4B (0.52) PDE4B
SCHEMBL1316649 0.86 PDE4B (0.52) PDE4BPDE7APDE3BPDE3A
SCHEMBL4523542 0.85 PDE4B (0.58) PDE4BPDE7APDE3BPDE3A
SCHEMBL3428989 0.85 PDE4B (0.56) PDE4B
SCHEMBL8015116 0.85 PDE4B (0.54) PDE4B

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