SCHEMBL4590955

SCHEMBL4590955

CCOc1cc2c(cc1OC)C(c1cc(OC)nnc1OC)=NC1CCC(O)CC21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
FPR2 P25090 6/20 0.32
KDM4E B2RXH2 1/20 0.32
TRPC6 Q9Y210 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
SCHEMBL1411525 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL15259935 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL14911007 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL3243980 0.99 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPK1
Bromide SCHEMBL1410521 0.99 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL1411735 0.99 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPK1
Oxalic Acid SCHEMBL1411436 0.96 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMAPK1
Sulfuric Acid SCHEMBL1411591 0.96 PDE4D (0.42) PDE4APDE4BPDE4CPDE4DMAPK1
Fumaric Acid SCHEMBL1411515 0.93 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
Fumaric Acid SCHEMBL1411518 0.93 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKDM4E

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
US-20140039001-A1 NOVEL SALTS OF 6-HETEROCYCLE SUBSTITUTED HEXAHYDROPHENANTHRIDINE DERIVATIVES TAKEDA GMBH (DE) 2014-02-06 US disclosed
EP-2589599-A1 Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors Takeda GmbH (DE) 2013-05-08 EP disclosed
US-20080194587-A1 phosphodiesterase inhibitor; drug for respiratory system disorders NYCOMED GMBH (DE) 2008-08-14 US disclosed