SCHEMBL4056777

SCHEMBL4056777

CCOC(=O)c1noc(C)c1Cc1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.58
KCNH2 Q12809 1/20 0.58
CACNA1F O60840 3/20 0.51
BCHE P06276 3/20 0.51
CACNA1D Q01668 3/20 0.51
CACNA1S Q13698 3/20 0.51
CACNA1C Q13936 3/20 0.51
HRH4 Q9H3N8 1/20 0.51
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4056779 0.84 HRH3 (0.66) HRH3KCNH2CACNA1FBCHECACNA1D
SCHEMBL1375239 0.83 HRH3 (0.64) HRH3KCNH2CACNA1FBCHECACNA1D
SCHEMBL4224568 0.77 HRH3 (0.93) HRH3KCNH2CACNA1FBCHECACNA1D
SCHEMBL22609290 0.75 ALDH1A1 (0.47) MAPTKDM4EALDH1A1
SCHEMBL22609305 0.74 TARBP2 (0.51) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL22609228 0.74 HTT (0.48) MAPTKDM4EALDH1A1
SCHEMBL4096430 0.74 HRH3 (1.00) HRH3KCNH2KDM4EALDH1A1
SCHEMBL2820780 0.73 HRH3 (0.69) HRH3KCNH2POLBMAPTKDM4E
SCHEMBL491935 0.72 HRH3 (0.88) HRH3
Hydrochloric Acid SCHEMBL9061899 0.71 HRH3 (0.86) HRH3

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