SCHEMBL5315933

SCHEMBL5315933

N#Cc1ccc(CNC(=O)CN2CC3CN(CCOCc4ccc(F)cc4)CC(C2)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.47
DRD2 P14416 9/20 0.47
HTR7 P34969 8/20 0.47
HTR6 P50406 8/20 0.47
KMT2A Q03164 2/20 0.44
KCNH2 Q12809 1/20 0.44
CCR5 P51681 1/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CACNA1F O60840 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CNR1 P21554 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 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
SCHEMBL5316269 0.95 HTR1A (0.45) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5316850 0.92 HTR1A (0.49) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL5319026 0.92 HTR1A (0.49) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL5318113 0.91 POLB (0.53) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL5314574 0.91 KCNH2 (0.43) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL5315946 0.90 KCNH2 (0.51) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL5336527 0.90 KCNH2 (0.51) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL5315724 0.89 KCNH2 (0.56) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL5317453 0.88 KMT2A (0.48) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL5318523 0.88 HTR1A (0.43) HTR1ADRD2HTR7HTR6KCNH2

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