SCHEMBL4056779

SCHEMBL4056779

CCOC(=O)c1noc(C)c1-c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.66
KCNH2 Q12809 2/20 0.66
MLYCD O95822 1/20 0.51
HRH2 P25021 5/20 0.50
HRH1 P35367 5/20 0.50
CACNA1F O60840 3/20 0.50
BCHE P06276 3/20 0.50
CACNA1D Q01668 3/20 0.50
CACNA1S Q13698 3/20 0.50
CACNA1C Q13936 3/20 0.50
HRH4 Q9H3N8 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL1375239 0.85 HRH3 (0.64) HRH3KCNH2HRH2HRH1CACNA1F
SCHEMBL4056777 0.84 HRH3 (0.58) HRH3KCNH2CACNA1FBCHECACNA1D
SCHEMBL4096430 0.80 HRH3 (1.00) HRH3KCNH2HRH2HRH1KDM4E
SCHEMBL4224568 0.78 HRH3 (0.93) HRH3KCNH2HRH2HRH1CACNA1F
SCHEMBL435212 0.74 MLYCD (0.67) MLYCDALDH1A1
SCHEMBL4090529 0.73 HRH3 (0.67) HRH3KCNH2HRH2HRH1BCHE
SCHEMBL4090531 0.73 HRH3 (0.67) HRH3KCNH2HRH2HRH1BCHE
SCHEMBL228881 0.72 KCNH2 (0.81) HRH3KCNH2HRH2HRH1MAPT
SCHEMBL223800 0.72 KCNH2 (0.81) HRH3KCNH2HRH2HRH1MAPT
SCHEMBL2212118 0.71 HRH3 (0.71) HRH3KCNH2CACNA1FBCHECACNA1D

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