SCHEMBL29284585

SCHEMBL29284585

CCN1CCC(C(=O)OC(=O)CCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CBr)cc2)C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.40
FURIN P09958 3/20 0.37
HRH1 P35367 8/20 0.36
KLKB1 P03952 3/20 0.35
TP53 P04637 1/20 0.34
FAP Q12884 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL29284554 0.87 MAP1LC3B (0.40) MAP1LC3BFURINHRH1KLKB1TP53
SCHEMBL29284547 0.85 NPC1 (0.41) MAP1LC3BHTT
SCHEMBL20513041 0.79 HTT (0.44) FURINHTT
SCHEMBL20513040 0.79 HTT (0.44) FURINHTT
SCHEMBL29284569 0.79 NPC1 (0.41) MAP1LC3BHTT
SCHEMBL29284586 0.79 NPC1 (0.41) MAP1LC3BHTT
SCHEMBL22068098 0.78 NPC1 (0.40) MAP1LC3BHTT
SCHEMBL21781878 0.78 MAP1LC3B (0.37) MAP1LC3BFURINHRH1KLKB1FAP
SCHEMBL22068096 0.77 NPC1 (0.41) MAP1LC3BHTT
SCHEMBL17595585 0.77 FURIN (0.44) FURINHTT

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
CN-110312730-B Cytotoxins and conjugates, uses thereof and methods of preparation 四川科伦博泰生物医药股份有限公司 2024-06-18 CN disclosed