SCHEMBL8263537

SCHEMBL8263537

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(n(C)c12)CCNC3

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.52
PDE4A P27815 17/20 0.52
PDE4B Q07343 17/20 0.52
PDE4C Q08493 17/20 0.52
GFER P55789 1/20 0.46
PDE11A Q9HCR9 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
SCHEMBL8263103 0.86 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL8264832 0.86 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL84496 0.84 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL8263962 0.84 KCNMA1 (0.44) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL84495 0.84 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL15016044 0.82 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL15016191 0.81 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CGFER
Hydrochloric Acid SCHEMBL74285 0.81 PDE4D (0.59) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL72749 0.79 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL73542 0.78 PDE4D (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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