SCHEMBL6994724

SCHEMBL6994724

CC(=O)N1CCN(CCCN2CC3CC(C2)CN(CC(COc2ccc(C#N)cc2)N(C)C(N)=O)C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.42
HRH1 P35367 6/20 0.42
HRH3 Q9Y5N1 4/20 0.42
MEN1 O00255 1/20 0.41
EPHX2 P34913 2/20 0.40
KCNA5 P22460 2/20 0.38
DRD3 P35462 1/20 0.38
KDM1A O60341 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 1/20 0.36

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
SCHEMBL6995893 0.85 KCNH2 (0.40) HRH2HRH1HRH3KDM1AKCNH2
SCHEMBL7035874 0.85 POLB (0.52) HRH2HRH1HRH3MEN1EPHX2
SCHEMBL6992363 0.85 KCNH2 (0.40) HRH2HRH1HRH3MEN1KDM1A
SCHEMBL6994726 0.84 HRH2 (0.41) HRH2HRH1HRH3MEN1EPHX2
SCHEMBL6990334 0.83 HRH2 (0.38) HRH2HRH1HRH3KCNA5KDM1A
SCHEMBL6992978 0.81 DRD3 (0.58) HRH2HRH1HRH3MEN1EPHX2
SCHEMBL7034139 0.80 EPHX2 (0.45) HRH2HRH1HRH3MEN1EPHX2
SCHEMBL6095370 0.80 HRH2 (0.48) HRH2HRH1HRH3MEN1KCNA5
SCHEMBL6095374 0.80 HRH2 (0.48) HRH2HRH1HRH3MEN1KCNA5
SCHEMBL6987304 0.79 MCHR1 (0.46) HRH3KCNH2

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-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO disclosed