SCHEMBL4060210

SCHEMBL4060210

O=c1ccc(-c2ccc(OCCCC3CCCNC3)c(F)c2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.45
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ACP1 P24666 7/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CHRM2 P08172 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR3A P46098 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4056596 0.88 PDE4A (0.56) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL4065947 0.84 HRH3 (0.56) HRH3ACP1CHRM2SLC6A2ADRA1A
SCHEMBL4057147 0.84 HRH3 (0.56) HRH3ACP1CHRM2SLC6A2ADRA1A
SCHEMBL4056306 0.79 HRH3 (0.46) HRH3FFAR4ACP1TLR9TLR8
SCHEMBL4055633 0.78 PDE3B (0.43) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL4055490 0.77 HRH3 (0.56) HRH3PDE4BCHRM2SLC6A2ADRA1A
SCHEMBL10259128 0.76 HRH3 (0.69) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL4061241 0.75 HRH3 (0.48) HRH3ACP1CHRM2SLC6A2ADRA1A
SCHEMBL1374866 0.75 HRH3 (0.69) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL1376722 0.74 HRH3 (0.79) HRH3CHRM2SLC6A2ADRA1AHTR3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP claimed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO claimed
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed