SCHEMBL3133729

SCHEMBL3133729

O=CCc1ccc(N(Cc2cncnc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.38
PDE4A P27815 4/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL3118269 0.88 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL3128465 0.84 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DGRIN1
SCHEMBL3129586 0.83 PDE4A (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL3132242 0.83 FGFR1 (0.35) PDE4BPDE4APDE4CPDE4DGRIN1
SCHEMBL3133720 0.82 PDE4A (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL3129299 0.82 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DGRIN1
SCHEMBL3203672 0.82 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DGRIN1
SCHEMBL3132289 0.81 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL3199280 0.80 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL3131213 0.79 RXRA (0.50) PDE4BPDE4APDE4CPDE4DKMT2A

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