SCHEMBL5316019

SCHEMBL5316019

N#Cc1ccc(OCCN2CC3CN(CCNC(=O)c4ccc(F)c(F)c4)CC(C2)O3)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
CD274 Q9NZQ7 1/20 0.46
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
PRKAA2 P54646 1/20 0.43
PLD1 Q13393 3/20 0.42
KCNA5 P22460 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLD2 O14939 2/20 0.40
KDM1A O60341 1/20 0.40
SCN9A Q15858 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
SCHEMBL5317369 0.95 KCNH2 (0.60) KCNH2CD274HRH2HRH1PRKAA2
SCHEMBL5314744 0.91 CD274 (0.54) KCNH2CD274HRH2HRH1PRKAA2
SCHEMBL5316918 0.86 KCNA5 (0.54) KCNH2CD274HRH2HRH1KCNA5
SCHEMBL5319119 0.83 CD274 (0.49) KCNH2CD274PLD1RAB9AKDM1A
SCHEMBL4134193 0.82 KCNH2 (0.53) KCNH2CD274HRH2HRH1KCNA5
SCHEMBL5314554 0.79 KCNH2 (0.53) KCNH2CD274
SCHEMBL5318392 0.78 CD274 (0.58) KCNH2CD274
SCHEMBL4137801 0.78 KCNH2 (0.59) KCNH2HRH2HRH1
SCHEMBL2966798 0.78 KCNH2 (0.53) KCNH2HRH2HRH1KCNA5
SCHEMBL5316201 0.77 CD274 (0.51) KCNH2CD274

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