SCHEMBL5314840

SCHEMBL5314840

COc1ccccc1OCCCN1CC2CN(CC(=O)NCc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.53
DRD2 P14416 11/20 0.53
HTR7 P34969 7/20 0.43
HTR6 P50406 7/20 0.43
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1B Q00975 2/20 0.41
CACNA1H O95180 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2A P28223 1/20 0.40
HTR5A P47898 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL5315427 0.90 MEN1 (0.47) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5315301 0.90 KCNH2 (0.48) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5316933 0.88 KCNH2 (0.47) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5315901 0.87 DRD2 (0.49) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5319103 0.87 KCNH2 (0.49) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5319012 0.85 KCNH2 (0.43) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5315724 0.85 KCNH2 (0.56) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5316328 0.85 KCNH2 (0.55) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5316196 0.84 KCNH2 (0.48) HTR1ADRD2HTR7HTR6KCNH2
SCHEMBL5315934 0.84 MCHR1 (0.48) HTR1ADRD2KCNH2POLBKMT2A

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