SCHEMBL5756557

SCHEMBL5756557

Nc1ccc(Cc2c[nH]nc2-c2ccc(OC(F)F)c(OC3CCCO3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
PDE4D Q08499 5/20 0.33
PDE4B Q07343 3/20 0.31
PDE4A P27815 3/20 0.31
PDE4C Q08493 2/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL5758448 0.87 PDE4B (0.40) PDE4DPDE4BPDE4APDE4C
SCHEMBL5758291 0.85 PDE4B (0.34) PDE4DPDE4BPDE4AGRM2
SCHEMBL5757580 0.83 PDE4B (0.34) PDE4DPDE4BPDE4APDE4C
SCHEMBL5755717 0.79 PDE4B (0.44) DHFRPDE4DPDE4BPDE4APDE4C
SCHEMBL5757544 0.78 PDE4A (0.41) PDE4DPDE4BPDE4APDE4C
SCHEMBL1157280 0.77 PDE4D (0.40) PDE4DPDE4BPDE4APDE4C
SCHEMBL5761415 0.76 PDE4A (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL3610565 0.76 PDE4D (0.50) PDE4D
SCHEMBL5756853 0.74 AKT1 (0.36) PDE4DPDE4BPDE4APDE4C
SCHEMBL3606207 0.74 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CGRM2

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