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Sugi Predict / Compounds / SCHEMBL3428333

SCHEMBL3428333

SCHEMBL3428333

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)NCc1ccc(F)c(-c2cccc(C=O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 15/20 0.45
▸ MAPK1 P28482 4/20 0.35
▸ CHRM3 P20309 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
SCHEMBL4352295 0.96 PDE4B (0.44) PDE4BMAPK1CHRM3
SCHEMBL4349939 0.96 PDE4B (0.45) PDE4BMAPK1CHRM3
SCHEMBL4346765 0.96 PDE4B (0.45) PDE4BMAPK1CHRM3
SCHEMBL3428586 0.94 PDE4B (0.44) PDE4BMAPK1CHRM3
SCHEMBL1362090 0.94 PDE4B (0.46) PDE4BCHRM3
SCHEMBL4088151 0.94 PDE4B (0.46) PDE4BMAPK1CHRM3
SCHEMBL13760227 0.93 PDE4B (0.43) PDE4BMAPK1CHRM3
SCHEMBL3425602 0.93 PDE4B (0.46) PDE4BMAPK1
SCHEMBL3425060 0.92 PDE4B (0.45) PDE4BMAPK1
SCHEMBL1363847 0.92 PDE4B (0.45) PDE4BMAPK1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 — — EP disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 — — WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 — — WO disclosed