SCHEMBL7474774

SCHEMBL7474774

N#Cc1ccc(OCCN(CN2CC3CC(C2)CN(C(=O)N2CCCCC2)C3)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.42
HRH3 Q9Y5N1 9/20 0.42
MEN1 O00255 2/20 0.40
HRH1 P35367 5/20 0.38
HRH2 P25021 4/20 0.38
SCN9A Q15858 1/20 0.38
SLC6A4 P31645 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2D6 P10635 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
SCHEMBL7477901 0.83 KCNA5 (0.39) KCNA5HRH3HRH1HRH2MMP2
SCHEMBL7481488 0.79 HRH2 (0.37) KCNA5HRH3MEN1HRH1HRH2
SCHEMBL6741147 0.76 DPP4 (0.36) KCNA5HRH3MEN1SCN9ASLC6A4
SCHEMBL6738989 0.76 DPP4 (0.41) HRH3MEN1DPP4DPP8KCNH2
SCHEMBL6741138 0.75 KCNH2 (0.40) HRH3MEN1DPP4DPP8KCNH2
SCHEMBL7480678 0.75 MMP2 (0.38) KCNA5HRH3HRH1HRH2MMP2
SCHEMBL7256965 0.72 MMP2 (0.36) KCNA5HRH3HRH1HRH2MMP2
SCHEMBL6742548 0.70 GPR119 (0.37) HRH3MEN1DPP4DPP8KCNH2
SCHEMBL6622261 0.70 KCNA5 (0.43) KCNA5HRH3MEN1HRH1HRH2
SCHEMBL6742543 0.70 KCNH2 (0.39) MEN1HRH1HRH2DPP4DPP8

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-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed