SCHEMBL5315877

SCHEMBL5315877

N#Cc1ccc(CCN2CC3CN(CC(=O)NCCc4ccccc4)CC(C2)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
HPGD P15428 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
USP30 Q70CQ3 1/20 0.44
POLB P06746 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KCNH2 Q12809 2/20 0.42
KCNJ1 P48048 1/20 0.42
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL5316242 0.89 ABCB1 (0.49) ABCB1HPGDABCG2MEN1L3MBTL1
SCHEMBL5316942 0.88 LTA4H (0.46) ABCB1HPGDABCG2L3MBTL1SMN1; SMN2
SCHEMBL5319733 0.87 POLB (0.48) HPGDKMT2AHTTPOLBALDH1A1
SCHEMBL5343106 0.86 KCNH2 (0.48) ABCB1HPGDABCG2KMT2APOLB
SCHEMBL5314570 0.86 HTR1A (0.48) HPGDMEN1KMT2AHTTPOLB
SCHEMBL5316192 0.85 HTT (0.52) HPGDMEN1KMT2AHTTPOLB
SCHEMBL5315867 0.83 ERCC1 (0.44) HPGDMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5316212 0.83 KCNH2 (0.46) KMT2ASMN1; SMN2POLBALDH1A1KCNH2
SCHEMBL5317453 0.83 KMT2A (0.48) KMT2ASMN1; SMN2POLBALDH1A1KCNH2
SCHEMBL4125747 0.83 KCNH2 (0.48) L3MBTL1KCNH2KCNJ1PKM

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