SCHEMBL5314630

SCHEMBL5314630

N#Cc1ccc(OCCCN2CC3CN(CC(=O)NCc4cccc(F)c4)CC(C2)O3)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
SRC P12931 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 3/20 0.46
HRH2 P25021 5/20 0.43
HRH1 P35367 5/20 0.43
HRH3 Q9Y5N1 2/20 0.42
KCNA5 P22460 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
SGMS1 Q86VZ5 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL5314598 0.92 KCNH2 (0.53) KCNH2SRCMEN1KMT2AHRH2
SCHEMBL5315724 0.90 KCNH2 (0.56) KCNH2KMT2AHRH2HRH1HRH3
SCHEMBL5319103 0.89 KCNH2 (0.49) KCNH2MEN1HRH2HRH1HRH3
SCHEMBL5314574 0.87 KCNH2 (0.43) KCNH2SRCKMT2AHTR1ADRD2
SCHEMBL5316933 0.86 KCNH2 (0.47) KCNH2MEN1HRH2HRH1HRH3
SCHEMBL5336527 0.85 KCNH2 (0.51) KCNH2KMT2AKCNA5HTR1ADRD2
SCHEMBL5315946 0.85 KCNH2 (0.51) KCNH2KMT2AKCNA5HTR1ADRD2
SCHEMBL5318102 0.85 KCNH2 (0.52) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL5314900 0.85 KCNA5 (0.55) KCNH2SRCKCNA5HTR1ADRD2
SCHEMBL5316611 0.84 KCNH2 (0.51) KCNH2HRH2HRH1HRH3KCNA5

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 claimed