SCHEMBL30262179

SCHEMBL30262179

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 15/20 0.51
▸ SCTR P47872 1/20 0.51
▸ VIPR2 P41587 3/20 0.48
▸ VIPR1 P32241 3/20 0.47

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
SCHEMBL30883242 0.90 GLP1R (0.56) GLP1RSCTR
SCHEMBL30140911 0.90 GLP1R (0.51) GLP1RSCTRVIPR2VIPR1
SCHEMBL30512578 0.88 GLP1R (0.48) GLP1RSCTRVIPR2VIPR1
SCHEMBL30720017 0.87 BACE1 (0.46) GLP1RSCTR
SCHEMBL30262188 0.87 GLP1R (0.59) GLP1RSCTR
SCHEMBL30455424 0.86 GLP1R (0.50) GLP1RSCTRVIPR1
SCHEMBL29883890 0.86 GLP1R (0.49) GLP1RSCTRVIPR1
SCHEMBL30483960 0.85 GLP1R (0.52) GLP1RSCTRVIPR2VIPR1
SCHEMBL31516403 0.85 GLP1R (0.49) GLP1RSCTRVIPR2VIPR1
SCHEMBL31005077 0.85 NPY4R (0.46) GLP1RSCTRVIPR2VIPR1

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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