SCHEMBL3962967

SCHEMBL3962967

O=C(O)NCCCC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 12/20 0.77
CACNA2D1 P54289 5/20 0.65
CACNB1 Q02641 5/20 0.65
CACNA1B Q00975 4/20 0.65
CACNA1C Q13936 3/20 0.65
CACNA1A O00555 1/20 0.64
GPX4 P36969 1/20 0.62

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
SCHEMBL16887951 0.87 CACNA1G (0.72) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3964691 0.86 CACNA1G (0.69) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3958369 0.85 CACNA1G (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3954648 0.85 CACNA1G (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL7663999 0.83 CNR1 (0.73) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3954671 0.82 CACNA1G (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5370723 0.82 CACNA1G (0.65) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5268519 0.79 CACNA2D1 (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5266301 0.79 CACNA2D1 (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4179713 0.79 CACNA2D1 (1.00) 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-2009035307-A2 NOVEL COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION COMPRISING THE SAME FOR INHIBITING PAIN EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2009-03-19 WO disclosed