SCHEMBL7359769

SCHEMBL7359769

COc1ccc(CCCNC(=O)C(N)=O)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.53
PDE4A P27815 5/20 0.53
PDE4C Q08493 5/20 0.53
PDE4D Q08499 5/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
EPHX1 P07099 1/20 0.51
RECQL P46063 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
POLB P06746 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL6816260 0.93 KMT2A (0.58) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7349128 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7417873 0.86 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL9273275 0.85 MEN1 (0.53) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL9273289 0.84 MEN1 (0.56) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7396306 0.84 MEN1 (0.58) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7361467 0.84 MEN1 (0.58) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL8571660 0.84 KMT2A (0.61) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7367212 0.83 MEN1 (0.57) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL9275728 0.83 MEN1 (0.57) PDE4BPDE4APDE4CPDE4DMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015045-A1 N-(3-PHENYLPROPYL)OXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 WO claimed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
WO-1993015045-A1 N-(3-PHENYLPROPYL)OXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 WO disclosed