SCHEMBL5314574

SCHEMBL5314574

N#Cc1ccc(CNC(=O)CN2CC3CN(CCOCc4cccc(F)c4)CC(C2)O3)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
HTR1A P08908 8/20 0.43
DRD2 P14416 8/20 0.43
HTR7 P34969 7/20 0.43
HTR6 P50406 7/20 0.43
CCR5 P51681 1/20 0.41
SRC P12931 1/20 0.38
POLB P06746 1/20 0.38
CCR3 P51677 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.37
MAOB P27338 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
SCHEMBL5318523 0.92 HTR1A (0.43) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5315933 0.91 HTR1A (0.47) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5317494 0.90 POLB (0.44) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5316850 0.90 HTR1A (0.49) HTR1ADRD2HTR7HTR6POLB
SCHEMBL5319026 0.90 HTR1A (0.49) HTR1ADRD2HTR7HTR6POLB
SCHEMBL5316269 0.90 HTR1A (0.45) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5314630 0.87 KCNH2 (0.55) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5314598 0.87 KCNH2 (0.53) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5318113 0.85 POLB (0.53) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5336527 0.83 KCNH2 (0.51) KCNH2HTR1ADRD2HTR7HTR6

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