SCHEMBL6997502

SCHEMBL6997502

N#Cc1ccc(OCC(N)CN2CC3CC(CN(CCNC(=O)O)C3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
TRPV4 Q9HBA0 2/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNA5 P22460 2/20 0.36
SCN9A Q15858 1/20 0.35
CD274 Q9NZQ7 1/20 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
SCHEMBL7031260 0.89 KCNH2 (0.58) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL6322140 0.85 GRIN1 (0.40) KCNH2TRPV4GRIN1GRIN2BMEN1
SCHEMBL6743187 0.83 GRIN1 (0.40) KCNH2TRPV4HRH2HRH1HRH3
SCHEMBL6733487 0.82 CHRNA7 (0.40) KCNH2TRPV4HRH2HRH1HRH3
SCHEMBL7030295 0.81 KCNH2 (0.39) KCNH2TRPV4HRH2HRH1HRH3
SCHEMBL6995039 0.79 GRIN1 (0.42) KCNH2TRPV4HRH3GRIN1GRIN2B
SCHEMBL6738018 0.79 KCNH2 (0.39) KCNH2TRPV4HRH2HRH1GRIN1
SCHEMBL1619314 0.78 KCNH2 (0.72) KCNH2MEN1KMT2APOLBKDM4E
SCHEMBL3605800 0.78 KCNH2 (0.72) KCNH2MEN1KMT2APOLBKDM4E
SCHEMBL6738989 0.78 DPP4 (0.41) KCNH2HRH3GRIN1GRIN2BMEN1

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