SCHEMBL5315427

SCHEMBL5315427

N#Cc1ccc(CNC(=O)CN2CC3CN(CCCOc4ccccc4C#N)CC(C2)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 10/20 0.46
DRD2 P14416 10/20 0.46
ALDH1A1 P00352 2/20 0.45
KCNH2 Q12809 1/20 0.43
CACNA1B Q00975 2/20 0.41
HTR7 P34969 7/20 0.41
HTR6 P50406 7/20 0.41
CACNA1H O95180 1/20 0.41
HTR2A P28223 1/20 0.41
HTR5A P47898 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
KCNA5 P22460 1/20 0.38

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
SCHEMBL5314840 0.90 HTR1A (0.53) KMT2AHTR1ADRD2ALDH1A1KCNH2
SCHEMBL5315301 0.90 KCNH2 (0.48) MEN1KMT2AHTR1ADRD2ALDH1A1
SCHEMBL5316933 0.89 KCNH2 (0.47) MEN1HTR1ADRD2KCNH2CACNA1B
SCHEMBL5319103 0.87 KCNH2 (0.49) MEN1HTR1ADRD2ALDH1A1KCNH2
SCHEMBL5319012 0.86 KCNH2 (0.43) MEN1KMT2AHTR1ADRD2ALDH1A1
SCHEMBL5315724 0.86 KCNH2 (0.56) KMT2AHTR1ADRD2KCNH2CACNA1B
SCHEMBL5316328 0.85 KCNH2 (0.55) KMT2AHTR1ADRD2KCNH2HTR7
SCHEMBL5316196 0.85 KCNH2 (0.48) KMT2AHTR1ADRD2ALDH1A1KCNH2
SCHEMBL5316515 0.84 KCNH2 (0.45) MEN1KMT2AHTR1ADRD2ALDH1A1
SCHEMBL5314570 0.83 HTR1A (0.48) MEN1KMT2AHTR1ADRD2ALDH1A1

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed