SCHEMBL6477013

SCHEMBL6477013

COc1ccc(C2=NN(CCCCCCNCC(O)c3cc(Cl)c(N)c(C#N)c3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.56
PDE4D Q08499 10/20 0.55
SLC6A2 P23975 8/20 0.55
SLC6A4 P31645 6/20 0.52
SLC6A3 Q01959 6/20 0.52
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL6485755 1.00 PDE4B (0.56) PDE4BPDE4DSLC6A2SLC6A4SLC6A3
SCHEMBL6485752 1.00 PDE4B (0.56) PDE4BPDE4DSLC6A2SLC6A4SLC6A3
SCHEMBL6477017 1.00 PDE4B (0.56) PDE4BPDE4DSLC6A2SLC6A4SLC6A3
SCHEMBL6488481 0.99 PDE4B (0.56) PDE4BPDE4DSLC6A2SLC6A4SLC6A3
SCHEMBL6488485 0.99 PDE4B (0.56) PDE4BPDE4DSLC6A2SLC6A4SLC6A3
SCHEMBL6488324 0.93 PDE4B (0.61) PDE4BPDE4DSLC6A2SLC6A4SLC6A3
SCHEMBL6488321 0.93 PDE4B (0.61) PDE4BPDE4DSLC6A2SLC6A4SLC6A3
SCHEMBL6478462 0.85 PDE4B (0.72) PDE4BPDE4DPDE4APDE4C
SCHEMBL6478012 0.85 PDE4B (0.72) PDE4BPDE4DPDE4APDE4C
SCHEMBL6478458 0.85 PDE4B (0.72) PDE4BPDE4DPDE4APDE4C

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