SCHEMBL5554960

SCHEMBL5554960

CCOc1ccc(C2=NN(c3ccc(C(=O)N4CCSCC4)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCC

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.75
PDE4A P27815 17/20 0.75
PDE4C Q08493 17/20 0.75
PDE4D Q08499 17/20 0.75
PDE3B Q13370 3/20 0.59
PDE3A Q14432 3/20 0.59

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
SCHEMBL5554956 1.00 PDE4B (0.75) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5560160 0.90 PDE4D (0.75) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6029275 0.90 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5554911 0.89 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5554908 0.89 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5554917 0.89 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6031161 0.89 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6027861 0.88 PDE4A (0.75) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6029447 0.88 PDE4B (0.72) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6030602 0.88 PDE4A (0.75) PDE4BPDE4APDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228046-B1 PHTHALAZINONE DERIVATIVES AS PDE 4 INHIBITORS NYCOMED GMBH (DE) 2007-09-26 EP claimed
EP-1228046-B1 PHTHALAZINONE DERIVATIVES AS PDE 4 INHIBITORS NYCOMED GMBH (DE) 2007-09-26 EP disclosed
US-6756371-B1 MORPHOLINO OR THIOMORPHOLINO DERIVATIVES; RESPIRATORY SYSTEM DISORDERS ALTANA PHARMA AG (DE) 2004-06-29 US disclosed