SCHEMBL4065947

SCHEMBL4065947

O=c1ccc(-c2ccc(OCCCC3CCCNC3)nc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.56
KCNH2 Q12809 4/20 0.48
ACP1 P24666 3/20 0.46
CHRM2 P08172 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR3A P46098 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
PAICS P22234 1/20 0.37

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
SCHEMBL4057147 0.87 HRH3 (0.56) HRH3KCNH2ACP1CHRM2SLC6A2
SCHEMBL4060210 0.84 HRH3 (0.45) HRH3KCNH2ACP1CHRM2SLC6A2
SCHEMBL4056596 0.83 PDE4A (0.56) HRH3KCNH2ACP1CHRM2SLC6A2
SCHEMBL4055490 0.81 HRH3 (0.56) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4061241 0.76 HRH3 (0.48) HRH3KCNH2ACP1CHRM2SLC6A2
SCHEMBL1376156 0.73 HRH3 (0.75) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL1372500 0.72 HRH3 (1.00) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL1372504 0.72 HRH3 (1.00) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL3621736 0.72 HRH3 (0.69) HRH3KCNH2PAICS
SCHEMBL4057615 0.71 HRH3 (0.59) HRH3KCNH2ACP1CHRM2SLC6A2

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 5 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-2492263-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-08-29 EP disclosed
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