SCHEMBL5757570

SCHEMBL5757570

COc1ccc(-c2n[nH]cc2Cc2ccccc2C)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
PDE4A P27815 15/20 0.46
PDE4B Q07343 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44

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
SCHEMBL5755076 0.86 PDE4B (0.44) EPHX2PDE4APDE4BPDE4CPDE4D
SCHEMBL5759370 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL5761415 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL5756332 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL5755717 0.76 PDE4B (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL8204723 0.74 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL5758859 0.73 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL3606680 0.73 MEN1 (0.54) EPHX2PDE4APDE4BPDE4CPDE4D
SCHEMBL5823060 0.71 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL5757544 0.71 PDE4A (0.41) PDE4APDE4BPDE4CPDE4D

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-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP disclosed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed