SCHEMBL15016079

SCHEMBL15016079

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1oc1ccnnc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.62
PDE4D Q08499 17/20 0.62
PDE4A P27815 16/20 0.62
PDE4C Q08493 16/20 0.62
GFER P55789 1/20 0.48
PDE11A Q9HCR9 1/20 0.48

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
SCHEMBL15016088 0.88 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CPDE11A
SCHEMBL74144 0.84 PDE4D (0.64) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL74891 0.83 PDE4D (0.63) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL72686 0.83 PDE4D (0.66) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL73260 0.82 PDE4D (0.64) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL5022238 0.81 PDE4B (0.69) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL5023369 0.79 PDE4D (0.66) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL4026196 0.78 PDE4D (0.64) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL5016490 0.78 PDE4D (0.63) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL5023283 0.78 PDE4D (0.63) PDE4BPDE4DPDE4APDE4CGFER

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 1 patent. 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