SCHEMBL3127976

SCHEMBL3127976

NC(c1cccnc1)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.56
PDE4B Q07343 17/20 0.56
PDE4A P27815 15/20 0.56
PDE4C Q08493 15/20 0.56
PDE5A O76074 1/20 0.52
ABCB11 O95342 1/20 0.46

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
SCHEMBL3133694 0.88 PDE4B (0.51) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL3120558 0.85 PDE4B (0.49) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL3200134 0.84 SLC6A2 (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL3132196 0.80 PDE4B (0.49) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL3126024 0.80 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL6466878 0.79 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL3129210 0.78 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL1157408 0.77 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL30352612 0.76 PDE4B (0.62) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL22713868 0.76 PDE4B (0.62) PDE4DPDE4BPDE4APDE4CABCB11

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed