SCHEMBL5362020

SCHEMBL5362020

COc1ccc(CNC(=O)CC(C)CC(=O)N2CCCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 8/20 0.63
LMNA P02545 1/20 0.58
CACNA2D1 P54289 8/20 0.58
CACNB1 Q02641 8/20 0.58
CACNA1B Q00975 6/20 0.58
CACNA1C Q13936 5/20 0.58
CACNA1A O00555 2/20 0.52
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 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
SCHEMBL5329966 0.97 CACNA1G (0.67) CACNA1GLMNACACNA2D1CACNB1CACNA1B
SCHEMBL5356025 0.91 CACNA1G (0.56) CACNA1GLMNACACNA2D1CACNB1CACNA1B
SCHEMBL5360610 0.89 CACNA2D1 (0.57) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5325048 0.87 CACNA1G (0.60) CACNA1GLMNACACNA2D1CACNB1CACNA1B
SCHEMBL5329843 0.85 CACNA2D1 (0.61) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5372531 0.82 CACNA1G (0.66) CACNA1GLMNACACNA2D1CACNB1CACNA1B
SCHEMBL5333695 0.79 CACNA2D1 (0.58) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5331579 0.78 CACNA1G (0.64) CACNA1GLMNACACNA2D1CACNB1CACNA1B
SCHEMBL14344630 0.77 CACNA2D1 (0.54) CACNA1GLMNACACNA2D1CACNB1CACNA1B
SCHEMBL14345023 0.76 LMNA (0.55) CACNA1GLMNACACNA2D1CACNB1CACNA1B

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 disclosed