SCHEMBL3427313

SCHEMBL3427313

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1ccc(C(=O)NCc2cccc(-c3cccc(CN4CCN(C(=O)OCC(C)C)CC4)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
CHRM3 P20309 7/20 0.39
P2RY12 Q9H244 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
SCHEMBL3430169 0.97 PDE4B (0.46) PDE4BCHRM3
SCHEMBL1362509 0.91 PDE4B (0.47) PDE4BCHRM3
SCHEMBL3424876 0.89 PDE4B (0.42) PDE4BCHRM3
SCHEMBL1364042 0.88 CHRM3 (0.50) PDE4BCHRM3
SCHEMBL1362398 0.88 PDE4B (0.46) PDE4BCHRM3
SCHEMBL1362644 0.86 PDE4B (0.49) PDE4BCHRM3
SCHEMBL1364928 0.86 PDE4B (0.48) PDE4BCHRM3
SCHEMBL12141488 0.85 CHRM3 (0.53) PDE4BCHRM3
SCHEMBL1363852 0.85 PDE4B (0.49) PDE4BCHRM3
SCHEMBL3428983 0.84 PDE4B (0.50) PDE4BCHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed