SCHEMBL5317348

SCHEMBL5317348

N#Cc1ccc(CNC(=O)CN2CC3CN(CCCOc4cccc(C(F)(F)F)c4)CC(C2)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
KCNH2 Q12809 1/20 0.45
EPHX2 P34913 4/20 0.43
POLB P06746 1/20 0.42
CCR2 P41597 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 3/20 0.41
VNN1 O95497 1/20 0.41
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ELANE P08246 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HTR2A P28223 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
SCHEMBL5314598 0.90 KCNH2 (0.53) KCNH2EPHX2MEN1KMT2AHRH3
SCHEMBL5316933 0.88 KCNH2 (0.47) KCNH2POLBMEN1HRH3HTR2A
SCHEMBL5315724 0.85 KCNH2 (0.56) KCNH2KMT2AKDM4EHTTHRH3
SCHEMBL5319103 0.85 KCNH2 (0.49) KCNH2MEN1KDM4EALDH1A1LMNA
SCHEMBL5318102 0.84 KCNH2 (0.52) KCNH2POLBHRH3
SCHEMBL5314630 0.84 KCNH2 (0.55) KCNH2MEN1KMT2AHRH3
SCHEMBL5316611 0.83 KCNH2 (0.51) KCNH2POLBHRH3
SCHEMBL5316699 0.81 CA1 (0.44) KCNH2EPHX2POLBCCR2VNN1
SCHEMBL5316196 0.81 KCNH2 (0.48) KCNH2POLBKMT2AKDM4EALDH1A1
SCHEMBL5315301 0.81 KCNH2 (0.48) FAAHKCNH2POLBMEN1KMT2A

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 2 patents. 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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed