SCHEMBL4056306

SCHEMBL4056306

O=c1ccc(-c2ccc(OCCCC3CCCNC3)c(F)c2)nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
ACP1 P24666 15/20 0.42
FFAR4 Q5NUL3 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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 0.79 HRH3 (0.45) HRH3ACP1FFAR4TLR9TLR8
SCHEMBL1376616 0.78 KCNH2 (0.56) HRH3
SCHEMBL1374311 0.77 HRH3 (0.77) HRH3
SCHEMBL4055633 0.73 PDE3B (0.43) HRH3ACP1FFAR4TLR9TLR8
SCHEMBL27754056 0.71 HRH3 (0.42) HRH3
SCHEMBL4054814 0.71 HRH3 (0.58) HRH3
SCHEMBL4066308 0.69 HRH3 (0.60) HRH3ACP1
SCHEMBL4060149 0.69 HRH3 (0.59) HRH3ACP1
SCHEMBL4056596 0.68 PDE4A (0.56) HRH3ACP1
SCHEMBL19283162 0.67 ACP1 (0.67) ACP1

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