SCHEMBL5360610

SCHEMBL5360610

COc1cc(CNC(=O)CC(C)CC(=O)N2CCCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 11/20 0.57
CACNB1 Q02641 11/20 0.57
CACNA1B Q00975 10/20 0.57
CACNA1C Q13936 7/20 0.57
CACNA1G O43497 9/20 0.52
CACNA1A O00555 1/20 0.51
DPP8 Q6V1X1 1/20 0.45

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
SCHEMBL5329843 0.97 CACNA2D1 (0.61) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL14344630 0.89 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5362020 0.89 CACNA1G (0.63) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5356025 0.86 CACNA1G (0.56) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5329966 0.85 CACNA1G (0.67) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5361400 0.83 CACNA2D1 (0.55) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5325048 0.82 CACNA1G (0.60) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL7597098 0.79 CACNA2D1 (0.64) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5333695 0.77 CACNA2D1 (0.58) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5324471 0.74 CACNA2D1 (0.61) 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