SCHEMBL1411084

SCHEMBL1411084

CCOc1cc2c(cc1OC)C(c1cnc(OC)c(OC)c1)=N[C@@H]1CC[C@@H](OC(=O)/C=C/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 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
FPR2 P25090 8/20 0.35
KDM4E B2RXH2 1/20 0.33
PIK3CA P42336 6/20 0.32
PIK3CG P48736 5/20 0.32
PIK3CD O00329 3/20 0.32
ACACB O00763 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CHRM1 P11229 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL1410863 0.92 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411659 0.92 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL2268044 0.90 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411133 0.90 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411539 0.89 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1410800 0.88 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411077 0.88 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411481 0.88 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411675 0.88 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411639 0.86 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CFPR2

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