SCHEMBL4060149

SCHEMBL4060149

CC(C)n1nc(-c2ccc(OCCCC3CCCNC3)cc2)ccc1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.59
KCNH2 Q12809 1/20 0.44
HTR3A P46098 1/20 0.41
ACP1 P24666 2/20 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
SCHEMBL4055751 0.88 HRH3 (0.46) HRH3KCNH2HTR3AACP1
SCHEMBL4054814 0.87 HRH3 (0.58) HRH3KCNH2
SCHEMBL4066308 0.81 HRH3 (0.60) HRH3KCNH2ACP1
SCHEMBL4056938 0.79 HRH3 (0.44) HRH3KCNH2HTR3AACP1
SCHEMBL4057147 0.78 HRH3 (0.56) HRH3KCNH2HTR3AACP1
SCHEMBL4066805 0.77 HRH3 (0.65) HRH3
SCHEMBL4055300 0.77 HRH3 (0.61) HRH3ACP1
SCHEMBL4059363 0.77 HTR3A (0.59) HRH3KCNH2HTR3AACP1
SCHEMBL4054583 0.77 HRH3 (0.63) HRH3HTR3AACP1
SCHEMBL4060869 0.75 HTR3A (0.60) HRH3KCNH2HTR3A

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