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Sugi Predict / Compounds / SCHEMBL1411083

SCHEMBL1411083

SCHEMBL1411083

CCOc1cc2c(cc1OC)C(c1ccc(OC)nc1)=N[C@@H]1CC[C@@H](OC(=O)C(=O)O[C@@H]3CC[C@H]4N=C(c5ccc(OC)nc5)c5cc(OC)c(OCC)cc5[C@H]4C3)C[C@H]21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.50
▸ PDE4A P27815 2/20 0.50
▸ PDE4B Q07343 1/20 0.50
▸ PDE4C Q08493 1/20 0.50
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PIK3CD O00329 4/20 0.34
▸ PIK3CA P42336 4/20 0.34
▸ PIK3CB P42338 4/20 0.34
▸ PIK3CG P48736 3/20 0.34
▸ FPR2 P25090 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ MTOR P42345 1/20 0.33

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
SCHEMBL1411271 0.94 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL1411481 0.93 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL1411865 0.92 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL1410805 0.92 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL4576450 0.89 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL1410732 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL1411071 0.89 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL1410586 0.88 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL14910606 0.88 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL14910607 0.88 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CKMT2A

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