SCHEMBL6150682

SCHEMBL6150682

CC(=O)N1CCN(CCC2C3CN(CCOc4ccc(C#N)cc4)CC(CN2C(=O)O)O3)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.48
DRD3 P35462 3/20 0.47
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM1A O60341 1/20 0.41
KCNH2 Q12809 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
SCHEMBL6148402 0.88 KCNH2 (0.51) KCNA5MEN1KCNH2
SCHEMBL6146890 0.85 CCR3 (0.37) DRD3HRH2HRH1HRH3MEN1
SCHEMBL6150676 0.84 KCNA5 (0.44) KCNA5DRD3HRH2HRH1HRH3
SCHEMBL2967914 0.83 DRD3 (0.57) KCNA5DRD3HRH2HRH1HRH3
SCHEMBL2968137 0.80 HRH1 (0.54) KCNA5DRD3HRH2HRH1HRH3
SCHEMBL6095366 0.78 DRD3 (0.60) KCNA5DRD3HRH2HRH1HRH3
SCHEMBL2968099 0.76 KCNA5 (0.54) KCNA5HRH2HRH1HRH3MEN1
SCHEMBL6096247 0.75 HRH1 (0.57) KCNA5DRD3HRH2HRH1HRH3
SCHEMBL6992978 0.74 DRD3 (0.58) KCNA5DRD3HRH2HRH1HRH3
SCHEMBL6148397 0.74 KCNH2 (0.53) MEN1KCNH2

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
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP claimed