SCHEMBL5756853

SCHEMBL5756853

O=C(Cc1c[nH]nc1-c1ccc(OC(F)F)c(OC2CCCO2)c1)Nc1cccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4D Q08499 6/20 0.34
PDE4B Q07343 6/20 0.34
PDE4A P27815 5/20 0.34
PDE4C Q08493 5/20 0.34
GSK3B P49841 2/20 0.34
KCNH2 Q12809 1/20 0.34
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR142 Q7Z601 1/20 0.32
P2RX4 Q99571 2/20 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
SCHEMBL5759453 0.88 PDE5A (0.38) POLBLMNAL3MBTL1PDE4DPDE4B
SCHEMBL5761077 0.88 POLB (0.42) AKT1POLBLMNAL3MBTL1P2RX7
SCHEMBL5757580 0.83 PDE4B (0.34) PDE4DPDE4BPDE4APDE4CGSK3B
SCHEMBL3603395 0.80 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CGPR142
SCHEMBL5758291 0.75 PDE4B (0.34) PDE4DPDE4BPDE4AALDH1A1
SCHEMBL5756557 0.74 DHFR (0.33) PDE4DPDE4BPDE4APDE4C
SCHEMBL5758859 0.73 PDE4B (0.41) LMNAPDE4DPDE4BPDE4APDE4C
SCHEMBL5758448 0.72 PDE4B (0.40) POLBLMNAPDE4DPDE4BPDE4A
SCHEMBL4178667 0.69 PDE4D (0.46) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL3605916 0.69 PDE4D (0.49) PDE4DMEN1MAPTKMT2A

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