Sugi Predict

Sugi Predict / Compounds / SCHEMBL6489084

SCHEMBL6489084

SCHEMBL6489084

COc1ccc(C2=NN(C3CCN(CCS(=O)(=O)CCNCC(OC(=O)/C=C/C(=O)OC(CNCCS(=O)(=O)CCN4CCC(N5N=C(c6ccc(OC)c(OC)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)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 17/20 0.47
▸ PDE4B Q07343 10/20 0.46
▸ PDE4A P27815 9/20 0.46
▸ PDE4C Q08493 9/20 0.46
▸ PDE7B Q9NP56 1/20 0.45
▸ PDE7A Q13946 2/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45

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
SCHEMBL7147395 0.91 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CPDE7B
Fumaric Acid SCHEMBL6489081 0.90 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CPDE7B
Fumaric Acid SCHEMBL6489086 0.90 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6485232 0.86 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6485158 0.82 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CPDE7B
Fumaric Acid SCHEMBL6477742 0.81 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CPDE7B
Fumaric Acid SCHEMBL6477738 0.81 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6486020 0.81 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6477035 0.79 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6490920 0.78 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CPDE7B

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