SCHEMBL5333695

SCHEMBL5333695

CC(CC(=O)NC1CCCCC1)CC(=O)N1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.58
CACNB1 Q02641 4/20 0.58
CACNA1B Q00975 3/20 0.58
CACNA1C Q13936 3/20 0.58
CACNA1G O43497 3/20 0.58
CACNA1A O00555 1/20 0.57
CNR1 P21554 10/20 0.55
CNR2 P34972 6/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 0.52

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
SCHEMBL5324471 0.97 CACNA2D1 (0.61) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5356597 0.82 CNR1 (0.57) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5356025 0.81 CACNA1G (0.56) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5362020 0.79 CACNA1G (0.63) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5360610 0.77 CACNA2D1 (0.57) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5325048 0.76 CACNA1G (0.60) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5266301 0.75 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5268519 0.75 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4179713 0.75 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5370723 0.74 CACNA1G (0.65) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

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 2 patents. 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
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