SCHEMBL8262616

SCHEMBL8262616

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(sc12)CNCC3

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.52
PDE4A P27815 18/20 0.50
PDE4B Q07343 18/20 0.50
PDE4C Q08493 18/20 0.50
GFER P55789 1/20 0.48
PDE11A Q9HCR9 1/20 0.46

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
Hydrochloric Acid SCHEMBL72328 0.99 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL8321734 0.87 PDE4D (0.55) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL84494 0.83 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL8264976 0.81 PDE4D (0.59) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL73785 0.81 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CGFER
Hydrochloric Acid SCHEMBL74596 0.81 PDE4D (0.58) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL15016191 0.79 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL84964 0.78 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CGFER
Hydrochloric Acid SCHEMBL74285 0.78 PDE4D (0.59) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL73163 0.78 MKNK1 (0.46) PDE4DPDE4APDE4BPDE4CGFER

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
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP disclosed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO disclosed