SCHEMBL5359764

SCHEMBL5359764

Cc1ccc(CNC(=O)CC(C)(C)CC(=O)N2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 11/20 0.56
CACNA2D1 P54289 6/20 0.53
CACNB1 Q02641 6/20 0.53
CACNA1B Q00975 5/20 0.53
CACNA1C Q13936 4/20 0.53
CACNA1A O00555 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.49

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
SCHEMBL5372531 0.90 CACNA1G (0.66) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5361400 0.85 CACNA2D1 (0.55) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5325048 0.84 CACNA1G (0.60) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5356025 0.81 CACNA1G (0.56) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5356597 0.79 CNR1 (0.57) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5359768 0.79 CACNA1G (0.54) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5326872 0.79 TACR3 (0.59) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5351830 0.79 TACR3 (0.59) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5329966 0.75 CACNA1G (0.67) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5362020 0.72 CACNA1G (0.63) 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 disclosed