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SCHEMBL30262019

SCHEMBL30262019

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 13/20 0.59
▸ GCGR P47871 5/20 0.59
▸ GIPR P48546 1/20 0.59
▸ KEAP1 Q14145 1/20 0.55
▸ TLR2 O60603 3/20 0.55
▸ IL23R Q5VWK5 1/20 0.54

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
SCHEMBL30957809 0.93 GLP1R (0.61) GLP1RGCGRGIPRKEAP1TLR2
SCHEMBL29970258 0.91 GLP1R (0.63) GLP1RGCGRGIPRTLR2IL23R
SCHEMBL30804687 0.90 GLP1R (0.66) GLP1RKEAP1
SCHEMBL30576988 0.90 GLP1R (0.70) GLP1RGCGRGIPRKEAP1
Dermaseptin S1 SCHEMBL29388838 0.89 GLP1R (0.64) GLP1RKEAP1
SCHEMBL31041075 0.88 PTH1R (0.67) GLP1RGCGRGIPRKEAP1
SCHEMBL31182787 0.88 GLP1R (0.65) GLP1RGCGRGIPRKEAP1TLR2
SCHEMBL31182479 0.87 GLP1R (0.57) GLP1RGCGRGIPRKEAP1IL23R
SCHEMBL30576939 0.87 PTH1R (0.65) GLP1RGCGRGIPRKEAP1
SCHEMBL31182726 0.87 GLP1R (0.63) GLP1RGCGRGIPR

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-20230040544-A1 COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC) SAREPTA THERAPEUTICS, INC. 2023-02-09 — — US disclosed
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