SCHEMBL4667414

SCHEMBL4667414

N#Cc1cc(F)c(OCCBr)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 1/20 0.33
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31
KMT2A Q03164 1/20 0.31
EGLN2 Q96KS0 2/20 0.31
PARP3 Q9Y6F1 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL3122960 0.91 FFAR4 (0.38) FFAR4HRH3PARP1PARP2MEN1
SCHEMBL15295228 0.81 HRH3 (0.38) FFAR4HRH3PARP1PARP2TTR
SCHEMBL5314384 0.81 FFAR4 (0.36) FFAR4HRH3PARP1PARP2EGLN2
SCHEMBL23588303 0.80 HRH3 (0.40) FFAR4HRH3
SCHEMBL31255629 0.80 HRH3 (0.38) FFAR4HRH3PARP1PARP2EGLN2
SCHEMBL10764567 0.78 PLAU (0.34) MEN1TTRALBKMT2AGSK3B
SCHEMBL3119850 0.77 HRH3 (0.40) HRH3EGLN2GSK3B
SCHEMBL15292532 0.77 HRH3 (0.36) FFAR4HRH3PARP1PARP2
SCHEMBL5018947 0.77 TRPV4 (0.38) FFAR4HRH3TTRALB
SCHEMBL5425809 0.74 MAPT (0.40) FFAR4HRH3MEN1KMT2AEGLN2

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
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO disclosed