SCHEMBL4055633

SCHEMBL4055633

O=C1CCC(c2ccc(OCCCC3CCCNC3)c(F)c2)=NN1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
PDE4B Q07343 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
MAPT P10636 2/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KMT2A Q03164 1/20 0.38
ACP1 P24666 7/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL4060210 0.78 HRH3 (0.45) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL1373424 0.76 HRH3 (0.72) HRH3
SCHEMBL1373427 0.76 HRH3 (0.72) HRH3
SCHEMBL1375275 0.75 HRH3 (0.68) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL4056306 0.73 HRH3 (0.46) HRH3TLR9TLR8TLR7ACP1
SCHEMBL2846170 0.71 PDE3B (0.77) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL27754059 0.70 LMNA (0.47) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL4065277 0.69 HRH3 (0.62) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL6640628 0.69 NPY1R (0.41) NPY1RHRH3KMT2AACP1
SCHEMBL4903296 0.69 PDE3B (0.54) PDE3BPDE3APDE4BPDE4APDE4C

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-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