SCHEMBL5268550

SCHEMBL5268550

NC(=O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 15/20 0.80
CACNB1 Q02641 15/20 0.80
CACNA1C Q13936 11/20 0.80
CACNA1A O00555 4/20 0.80
CACNA1B Q00975 12/20 0.58
CACNA1H O95180 1/20 0.58
CACNA1G O43497 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SLC6A9 P48067 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
SCHEMBL4187829 0.90 CACNA2D1 (0.97) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL4182908 0.82 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL8432816 0.82 CACNA2D1 (0.71) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL5267208 0.82 CACNA2D1 (0.71) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL5268878 0.82 CACNA2D1 (0.64) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL13569214 0.81 CACNA2D1 (0.70) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL5270987 0.79 CACNA2D1 (0.67) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL5265057 0.79 CACNA2D1 (0.67) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL8239769 0.77 CACNA2D1 (0.75) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL27403138 0.75 CACNA1A (0.49) CACNA2D1CACNB1CACNA1CCACNA1A

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
EP-1610792-B1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECH INC (CA) 2007-10-10 EP claimed