SCHEMBL5356602

SCHEMBL5356602

CC(C)(CC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)C(C(N)=O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 5/20 0.54
CACNA2D1 P54289 5/20 0.54
CACNB1 Q02641 5/20 0.54
CACNA1B Q00975 4/20 0.54
CACNA1C Q13936 3/20 0.54
CACNA1A O00555 1/20 0.53
DPP8 Q6V1X1 1/20 0.48
GPX4 P36969 1/20 0.48
CNR1 P21554 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR2 P34972 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL5356597 0.80 CNR1 (0.57) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5359768 0.78 CACNA1G (0.54) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5360644 0.76 CACNA1G (0.60) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5361404 0.74 CACNA2D1 (0.55) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5324471 0.73 CACNA2D1 (0.61) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3320505 0.73 CACNA2D1 (0.60) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5268519 0.72 CACNA2D1 (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5266301 0.72 CACNA2D1 (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4179713 0.72 CACNA2D1 (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5333695 0.71 CACNA2D1 (0.58) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C

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-2007142431-A1 NEW NON-PEPTIDE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2007-12-13 WO claimed