SCHEMBL5316699

SCHEMBL5316699

N#Cc1ccc(CNC(=O)CN2CC3CN(CCc4ccc(C(F)(F)F)cc4)CC(C2)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 2/20 0.42
VNN1 O95497 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CLPP Q16740 1/20 0.40
CCR2 P41597 1/20 0.40
RORC P51449 2/20 0.40
EPHX2 P34913 1/20 0.40
KCNH2 Q12809 3/20 0.39
KCNJ1 P48048 1/20 0.39
P2RX7 Q99572 1/20 0.39
CHRNA7 P36544 1/20 0.39
DPP4 P27487 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 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
SCHEMBL5319733 0.92 POLB (0.48) CA1CA2CA7POLBKCNH2
SCHEMBL5315911 0.90 POLB (0.46) CA1CA2CA7CA9POLB
SCHEMBL5317453 0.89 KMT2A (0.48) CA1CA2CA7CA9POLB
SCHEMBL5316522 0.89 POLB (0.43) POLBKCNH2KCNJ1
SCHEMBL5315892 0.88 POLB (0.45) CA1CA2CA7POLBEPHX2
SCHEMBL5314874 0.86 POLB (0.54) CA1CA2CA7POLBEPHX2
SCHEMBL5316681 0.85 POLB (0.40) POLBRAB9ACCR2P2RX7ALDH1A1
SCHEMBL5331515 0.85 LMNA (0.50) CA1CA2CA7CA9POLB
SCHEMBL5340709 0.84 KCNH2 (0.41) POLBKCNH2KCNJ1CHRNA7ALDH1A1
SCHEMBL5315867 0.84 ERCC1 (0.44) POLBCLPPKCNH2KCNJ1ALDH1A1

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