SCHEMBL5317399

SCHEMBL5317399

N#Cc1ccc(CNC(=O)CN2CC3CN(CCCOc4ccc(C#N)cc4F)CC(C2)O3)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 3/20 0.42
ENPP2 Q13822 2/20 0.40
P2RX7 Q99572 2/20 0.38
USP30 Q70CQ3 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
HTR2A P28223 1/20 0.34
CCR3 P51677 1/20 0.34
CHRM4 P08173 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34

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
SCHEMBL5316196 0.91 KCNH2 (0.48) KCNH2HRH3USP30HRH2HRH1
SCHEMBL5316515 0.90 KCNH2 (0.45) KCNH2HRH3HTR2AKMT2A
SCHEMBL5316328 0.86 KCNH2 (0.55) KCNH2HRH3HRH2HRH1HTR2A
SCHEMBL5336447 0.85 KCNH2 (0.46) KCNH2HRH3
SCHEMBL4130153 0.83 KCNH2 (0.51) KCNH2HRH3USP30HRH2HRH1
SCHEMBL4133463 0.83 KCNH2 (0.54) KCNH2HRH3USP30HRH2HRH1
SCHEMBL5315301 0.83 KCNH2 (0.48) KCNH2HTR2AKMT2A
SCHEMBL5316576 0.83 ENPP2 (0.43) KCNH2ENPP2P2RX7USP30JAK2
SCHEMBL5314502 0.82 HTT (0.41) KCNH2ENPP2P2RX7CHRM4KMT2A
SCHEMBL4669350 0.82 KCNH2 (0.49) KCNH2HRH3USP30HRH2HRH1

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