SCHEMBL7168545

SCHEMBL7168545

CC(=O)N1CCN(CCOC(=O)N2CC3CCOC(CN(CC(O)COc4ccc(C#N)cc4)C3)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CACNA1F O60840 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL2963414 0.89 KCNH2 (0.56) KCNH2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6622531 0.88 POLB (0.48) KCNH2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6097129 0.86 POLB (0.50) KCNH2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL4425025 0.79 KCNH2 (0.47) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6094455 0.79 KDM4E (0.61) KCNH2L3MBTL1KDM4EALDH1A1HRH2
SCHEMBL2964372 0.79 KCNH2 (0.63) KCNH2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL2968137 0.78 HRH1 (0.54) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL7035874 0.78 POLB (0.52) KCNH2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL7248379 0.77 POLB (0.46) KCNH2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6094259 0.76 POLB (0.54) KCNH2POLBL3MBTL1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US claimed