SCHEMBL5986754

SCHEMBL5986754

COC(=O)CN(C)C(=O)c1ccc(C2=NC3CCC(OC(C)=O)CC3c3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.50
PDE4B Q07343 5/20 0.50
PDE4A P27815 1/20 0.50
PDE4C Q08493 1/20 0.50
JAK1 P23458 1/20 0.34
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ROCK2 O75116 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL5480760 0.88 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CJAK1
SCHEMBL3471184 0.86 PDE4D (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL5056744 0.85 PDE4D (0.53) PDE4DPDE4BPDE4APDE4CJAK1
Hydrochloric Acid SCHEMBL3470610 0.85 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL6386857 0.83 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL5482662 0.83 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL5484477 0.82 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL2350503 0.81 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL3470159 0.80 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL6384297 0.80 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CPOLB

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-1725534-A1 NOVEL AMIDO-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-29 EP disclosed
WO-2005087745-A1 NOVEL AMIDO-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 WO disclosed