SCHEMBL6994726

SCHEMBL6994726

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.41
HRH1 P35367 5/20 0.41
HRH3 Q9Y5N1 4/20 0.41
EPHX2 P34913 5/20 0.41
MEN1 O00255 1/20 0.40
KCNA5 P22460 1/20 0.37
DRD3 P35462 1/20 0.37
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL6995897 0.86 ALDH1A1 (0.36) HRH2HRH1HRH3KCNA5
SCHEMBL6994724 0.84 HRH2 (0.42) HRH2HRH1HRH3EPHX2MEN1
SCHEMBL7035874 0.81 POLB (0.52) HRH2HRH1HRH3EPHX2MEN1
SCHEMBL6992978 0.80 DRD3 (0.58) HRH2HRH1HRH3EPHX2MEN1
SCHEMBL7034139 0.76 EPHX2 (0.45) HRH2HRH1HRH3EPHX2MEN1
SCHEMBL6095370 0.75 HRH2 (0.48) HRH2HRH1HRH3MEN1KCNA5
SCHEMBL6095374 0.75 HRH2 (0.48) HRH2HRH1HRH3MEN1KCNA5
SCHEMBL6095366 0.74 DRD3 (0.60) HRH2HRH1HRH3MEN1KCNA5
SCHEMBL6094259 0.74 POLB (0.54) HRH2HRH1HRH3MEN1DRD3
SCHEMBL6094254 0.74 POLB (0.54) HRH2HRH1HRH3MEN1DRD3

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