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Sugi Predict / Compounds / SCHEMBL8011358

SCHEMBL8011358

SCHEMBL8011358

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)NCc1ccc(C)c(-c2cccc(CN3C[C@@H](C)N[C@@H](C)C3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 13/20 0.44
▸ CHRM3 P20309 4/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ CHRM2 P08172 3/20 0.34
▸ CHRM1 P11229 3/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL4355939 0.96 PDE4B (0.44) PDE4BCHRM3MAPK1CHRM2CHRM1
SCHEMBL4358136 0.96 PDE4B (0.43) PDE4BCHRM3MAPK1CHRM2CHRM1
SCHEMBL4104716 0.94 PDE4B (0.45) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL1363360 0.94 PDE4B (0.45) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL3426553 0.94 CHRM3 (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL3430482 0.94 CHRM3 (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL8010849 0.94 PDE4B (0.43) PDE4BCHRM3MAPK1CHRM2CHRM1
SCHEMBL1364679 0.93 PDE4B (0.44) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL3425751 0.93 PDE4B (0.43) PDE4BCHRM3MAPK1ENPP2
SCHEMBL4360533 0.90 CHRM3 (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2

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