SCHEMBL5266285

SCHEMBL5266285

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(O)cc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 16/20 0.86
CACNB1 Q02641 16/20 0.86
CACNA1B Q00975 14/20 0.86
CACNA1C Q13936 10/20 0.86
CACNA1H O95180 1/20 0.86
CACNA1G O43497 4/20 0.78
CACNA1A O00555 3/20 0.76

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
Z160 SCHEMBL4180792 0.93 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL5268519 0.88 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL4179713 0.88 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL5265406 0.88 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL5264907 0.88 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL5266301 0.88 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL8429637 0.87 CACNA2D1 (0.65) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL8427763 0.84 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL4352704 0.84 CACNA2D1 (0.78) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL5265363 0.84 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H

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