SCHEMBL1411539

SCHEMBL1411539

CCOc1cc2c(cc1OC)C(c1cnc(OC)c(OC)c1)=N[C@H]1CC[C@H](OC(=O)C(O)C(O)C(=O)O[C@H]3CC[C@@H]4N=C(c5cnc(OC)c(OC)c5)c5cc(OC)c(OCC)cc5[C@@H]4C3)C[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
FPR2 P25090 8/20 0.34
PIK3CA P42336 7/20 0.33
PIK3CD O00329 4/20 0.33
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3CG P48736 4/20 0.32

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
SCHEMBL1411041 0.93 PDE4A (0.42) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1410863 0.92 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411671 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411659 0.91 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411285 0.90 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411084 0.89 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL2268044 0.89 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411531 0.88 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1410805 0.88 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1410763 0.88 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194587-A1 phosphodiesterase inhibitor; drug for respiratory system disorders NYCOMED GMBH (DE) 2008-08-14 US claimed
US-8829189-B2 Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2014-09-09 US disclosed
US-8754218-B2 Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2014-06-17 US disclosed
US-20140039001-A1 NOVEL SALTS OF 6-HETEROCYCLE SUBSTITUTED HEXAHYDROPHENANTHRIDINE DERIVATIVES TAKEDA GMBH (DE) 2014-02-06 US disclosed
EP-2295423-B1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2013-10-02 EP disclosed
EP-2189454-B1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2013-09-25 EP disclosed
US-20130096152-A1 NOVEL SALTS OF 6-HETEROCYCLE SUBSTITUTED HEXAHYDROPHENANTHRIDINE DERIVATIVES NYCOMED GMBH (DE) 2013-04-18 US disclosed
US-8354535-B2 Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives NYCOMED GMBH (DE) 2013-01-15 US disclosed
EP-2295423-A1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives Nycomed GmbH (DE) 2011-03-16 EP disclosed
US-20100190818-A1 Novel salts of 6-heterocycle substituted hexahydrophenanthridine derivatives NYCOMED GMBH (DE) 2010-07-29 US disclosed
EP-2189454-A1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives Nycomed GmbH (DE) 2010-05-26 EP disclosed
US-20080194587-A1 phosphodiesterase inhibitor; drug for respiratory system disorders NYCOMED GMBH (DE) 2008-08-14 US disclosed