SCHEMBL24496348

SCHEMBL24496348

C=CCC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 6/20 0.70
CACNA2D1 P54289 5/20 0.62
CACNB1 Q02641 5/20 0.62
CACNA1B Q00975 4/20 0.62
CACNA1C Q13936 3/20 0.62
CACNA1G O43497 3/20 0.62
CACNA1A O00555 1/20 0.61
SLC6A9 P48067 1/20 0.55
TACR3 P29371 1/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
MGLL Q99685 1/20 0.51
ABHD6 Q9BV23 1/20 0.51

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
SCHEMBL917195 0.77 GPX4 (0.69) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5013016 0.77 CACNA1G (0.70) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5268519 0.77 CACNA2D1 (1.00) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4179713 0.77 CACNA2D1 (1.00) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5266301 0.77 CACNA2D1 (1.00) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL17281595 0.76 GPX4 (0.68) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL7665618 0.76 NPC1 (0.78) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5544042 0.76 CACNA2D1 (1.00) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL24496402 0.74 GPX4 (0.64) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1446803 0.73 NPC1 (0.85) GPX4CACNA2D1CACNB1CACNA1BCACNA1C

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-2022119362-A1 GPX4 PROTEIN DEGRADATION-INDUCING COMPOUND (주) 업테라 2022-06-09 WO disclosed