SCHEMBL5317494

SCHEMBL5317494

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GID4 Q8IVV7 1/20 0.43
CCR5 P51681 1/20 0.42
HTR1A P08908 6/20 0.41
DRD2 P14416 6/20 0.41
HTR7 P34969 5/20 0.41
HTR6 P50406 5/20 0.41
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
EGLN2 Q96KS0 1/20 0.37
KCNH2 Q12809 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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) POLBCCR5HTR1ADRD2HTR7
SCHEMBL5318113 0.91 POLB (0.53) POLBHTR1ADRD2HTR7HTR6
SCHEMBL5314574 0.90 KCNH2 (0.43) POLBCCR5HTR1ADRD2HTR7
SCHEMBL5316850 0.90 HTR1A (0.49) POLBHTR1ADRD2HTR7HTR6
SCHEMBL5319026 0.90 HTR1A (0.49) POLBHTR1ADRD2HTR7HTR6
SCHEMBL5316269 0.90 HTR1A (0.45) POLBHTR1ADRD2HTR7HTR6
SCHEMBL5315933 0.85 HTR1A (0.47) POLBCCR5HTR1ADRD2HTR7
SCHEMBL5316192 0.81 HTT (0.52) POLBHTR1ADRD2HTR7HTR6
SCHEMBL5314874 0.81 POLB (0.54) POLBHTR1ADRD2HTR7HTR6
SCHEMBL5315867 0.81 ERCC1 (0.44) POLBDRD2KDM4EALDH1A1GLA

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