SCHEMBL5336527

SCHEMBL5336527

N#Cc1ccc(OCCN2CC3CN(CC(=O)NCc4ccc(F)cc4)CC(C2)O3)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
KCNA5 P22460 4/20 0.46
HTR1A P08908 3/20 0.46
DRD2 P14416 3/20 0.46
HTR7 P34969 3/20 0.46
HTR6 P50406 3/20 0.46
KMT2A Q03164 2/20 0.45
PRKAA2 P54646 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5315946 1.00 KCNH2 (0.51) KCNH2KCNA5HTR1ADRD2HTR7
SCHEMBL5315724 0.95 KCNH2 (0.56) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5315943 0.91 KCNH2 (0.51) KCNH2KCNA5HTR1ADRD2HTR7
SCHEMBL5314900 0.91 KCNA5 (0.55) KCNH2KCNA5HTR1ADRD2HTR7
SCHEMBL5315933 0.90 HTR1A (0.47) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5317453 0.89 KMT2A (0.48) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5319012 0.88 KCNH2 (0.43) KCNH2KCNA5HTR1ADRD2HTR7
SCHEMBL5314736 0.86 KMT2A (0.50) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL5314598 0.86 KCNH2 (0.53) KCNH2KCNA5HTR1ADRD2HTR7
SCHEMBL5316933 0.86 KCNH2 (0.47) KCNH2KCNA5HTR1ADRD2HTR7

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