SCHEMBL6478218

SCHEMBL6478218

COc1ccc(C2=NN(CCCCCCN)C(=O)C3CC=CCC23)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.81
SLC6A2 P23975 3/20 0.81
PDE4B Q07343 10/20 0.78
PDE4A P27815 9/20 0.78
PDE4C Q08493 9/20 0.78
PDE3B Q13370 1/20 0.61
PDE3A Q14432 1/20 0.61
SLC6A4 P31645 1/20 0.59
SLC6A3 Q01959 1/20 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
SCHEMBL6478487 1.00 PDE4D (0.81) PDE4DSLC6A2PDE4BPDE4APDE4C
SCHEMBL6478214 1.00 PDE4D (0.81) PDE4DSLC6A2PDE4BPDE4APDE4C
SCHEMBL6478491 1.00 PDE4D (0.81) PDE4DSLC6A2PDE4BPDE4APDE4C
SCHEMBL6479746 0.99 PDE4D (0.80) PDE4DSLC6A2PDE4BPDE4APDE4C
SCHEMBL6479748 0.99 PDE4D (0.80) PDE4DSLC6A2PDE4BPDE4APDE4C
SCHEMBL7140290 0.91 PDE4D (0.83) PDE4DSLC6A2PDE4BPDE4APDE4C
SCHEMBL7145708 0.91 PDE4D (0.83) PDE4DSLC6A2PDE4BPDE4APDE4C
SCHEMBL7145709 0.91 PDE4D (0.83) PDE4DSLC6A2PDE4BPDE4APDE4C
SCHEMBL7140287 0.91 PDE4D (0.83) PDE4DSLC6A2PDE4BPDE4APDE4C
SCHEMBL7145712 0.91 PDE4D (0.83) PDE4DSLC6A2PDE4BPDE4APDE4C

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