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SCHEMBL6477035

SCHEMBL6477035

CCOc1ccc(C2=NN(C3CCN(C(=O)CNCC(OC(=O)/C=C/C(=O)OC(CNCC(=O)N4CCC(N5N=C(c6ccc(OCC)c(OCC)c6)[C@H]6CC=CC[C@H]6C5=O)CC4)c4cc(Cl)c(N)c(Cl)c4)c4cc(Cl)c(N)c(Cl)c4)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 18/20 0.47
▸ PDE7B Q9NP56 1/20 0.46
▸ PDE4A P27815 8/20 0.45
▸ PDE4B Q07343 8/20 0.45
▸ PDE4C Q08493 8/20 0.45
▸ PDE7A Q13946 2/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42

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
Fumaric Acid SCHEMBL6477040 0.89 PDE4D (0.48) PDE4DPDE7BPDE4APDE4BPDE4C
Fumaric Acid SCHEMBL6477033 0.89 PDE4D (0.48) PDE4DPDE7BPDE4APDE4BPDE4C
SCHEMBL6485158 0.81 PDE4D (0.51) PDE4DPDE7BPDE4APDE4BPDE4C
SCHEMBL7147395 0.81 PDE4D (0.48) PDE4DPDE7BPDE4APDE4BPDE4C
SCHEMBL6486020 0.79 PDE4D (0.51) PDE4DPDE7BPDE4APDE4BPDE4C
SCHEMBL6489084 0.79 PDE4D (0.47) PDE4DPDE7BPDE4APDE4BPDE4C
SCHEMBL4011641 0.78 PDE4D (0.63) PDE4DPDE7BPDE4APDE4BPDE4C
SCHEMBL2881703 0.77 PDE4D (0.61) PDE4DPDE7BPDE4APDE4BPDE4C
SCHEMBL6435630 0.77 PDE4D (0.61) PDE4DPDE7BPDE4APDE4BPDE4C
SCHEMBL6435624 0.77 PDE4D (0.61) PDE4DPDE7BPDE4APDE4BPDE4C

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