SCHEMBL8231499

SCHEMBL8231499

CCc1ccc(CC(=O)N[C@H](C)c2ccc(-n3cccc3)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CACNA1I Q9P0X4 4/20 0.50
CACNA1G O43497 2/20 0.47
CACNA1H O95180 2/20 0.47
CNR2 P34972 1/20 0.47
KCNH2 Q12809 1/20 0.47
POLB P06746 6/20 0.47
LMNA P02545 3/20 0.47
RECQL P46063 1/20 0.47
AOC2 O75106 2/20 0.46
SLC22A12 Q96S37 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.41
NSD2 O96028 1/20 0.41
GRK2 P25098 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1060481 0.90 CACNA1I (0.60) MEN1KMT2ACACNA1ICACNA1GCACNA1H
SCHEMBL1057458 0.81 CACNA1I (0.53) MEN1KMT2ACACNA1ICACNA1GCACNA1H
SCHEMBL1061577 0.74 ALDH1A1 (0.54) KMT2ACACNA1ICACNA1GCACNA1HCNR2
SCHEMBL1060494 0.73 CACNA1H (0.56) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1063110 0.72 MAPT (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1062362 0.72 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1062626 0.72 MAPT (0.51) MEN1KMT2ACACNA1ICNR2LMNA
SCHEMBL1062051 0.71 ALDH1A1 (0.50) KMT2ACACNA1ICACNA1GCACNA1HCNR2
SCHEMBL1062049 0.71 WNT3A (0.55) KMT2ACACNA1ICACNA1GCACNA1HCNR2
SCHEMBL1065313 0.71 ALDH1A1 (0.62) MEN1KMT2ACACNA1ICACNA1GCACNA1H

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-2007120729-A2 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-10-25 WO disclosed