SCHEMBL1411041

SCHEMBL1411041

CCOc1cc2c(cc1OC)C(c1cnc(OC)c(OC)c1)=N[C@@H]1CC[C@@H](OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
FPR2 P25090 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
ACACB O00763 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
SCHEMBL1411539 0.93 PDE4D (0.46) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL1411401 0.91 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL1411267 0.90 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL1410722 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL1411554 0.89 PDE4D (0.45) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL1410735 0.88 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
Gluconic Acid SCHEMBL1411039 0.88 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL1411433 0.88 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL1410754 0.87 PDE4D (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL1411679 0.87 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D

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