SCHEMBL30495584

SCHEMBL30495584

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 17/20 0.60
▸ SCTR P47872 1/20 0.60
▸ KEAP1 Q14145 1/20 0.54
▸ GCGR P47871 1/20 0.53

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
SCHEMBL30804651 0.91 GLP1R (0.65) GLP1RSCTRGCGR
SCHEMBL30262097 0.91 GLP1R (0.59) GLP1RSCTRKEAP1GCGR
SCHEMBL29622989 0.91 GLP1R (0.65) GLP1RSCTRGCGR
SCHEMBL30974513 0.91 GLP1R (0.57) GLP1RSCTR
SCHEMBL30956353 0.89 GLP1R (0.52) GLP1RSCTRKEAP1GCGR
SCHEMBL29871041 0.89 GLP1R (0.59) GLP1RSCTRGCGR
SCHEMBL30495762 0.89 GLP1R (0.69) GLP1RSCTRGCGR
SCHEMBL29658174 0.89 GLP1R (0.62) GLP1RSCTRGCGR
SCHEMBL31182941 0.89 GLP1R (0.65) GLP1RSCTR
SCHEMBL30956350 0.89 GLP1R (0.53) GLP1RSCTRKEAP1GCGR

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
US-20230190887-A1 TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION UNIVERSITY OF SOUTH CAROLINA (US) 2023-06-22 — — US disclosed
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