SCHEMBL6478391

SCHEMBL6478391

C=CS(=O)(=O)C(C)N1CCC(N2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.66
PDE4B Q07343 13/20 0.66
PDE4A P27815 12/20 0.66
PDE4C Q08493 12/20 0.66
PDE7A Q13946 2/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56

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
SCHEMBL2884716 0.86 PDE4D (0.77) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL6488080 0.86 PDE4D (0.71) PDE4DPDE4BPDE4APDE4CPDE7A
Hydrochloric Acid SCHEMBL4015463 0.86 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL6478385 0.82 PDE4D (0.65) PDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL6529272 0.81 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL4010327 0.81 PDE4D (0.68) PDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL6529270 0.81 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7142322 0.81 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7142328 0.81 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7142325 0.81 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A

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
US-6933296-B2 Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors ALTANA PHARMA B.V. (NL) 2005-08-23 US disclosed
EP-1296956-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA Pharma AG (DE) 2003-04-02 EP disclosed
WO-2001094319-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA PHARMA AG (DE) 2001-12-13 WO disclosed