SCHEMBL1553763

SCHEMBL1553763

COc1ccccc1Oc1nc2c(OC)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2n1C

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.75
PDE4A P27815 18/20 0.75
PDE4B Q07343 18/20 0.75
PDE4C Q08493 18/20 0.75
PDE11A Q9HCR9 1/20 0.55

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
SCHEMBL6957705 0.86 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6954457 0.81 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL1553355 0.79 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL8269400 0.77 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL5016433 0.74 PDE4D (0.58) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6958092 0.74 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6950213 0.73 PDE4D (0.68) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6963861 0.73 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL8268013 0.73 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL1553036 0.72 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CPDE11A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed