SCHEMBL30512618

SCHEMBL30512618

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 10/20 0.56
▸ SCTR P47872 1/20 0.56
▸ VIPR2 P41587 6/20 0.55
▸ VIPR1 P32241 4/20 0.55
▸ NPY5R Q15761 3/20 0.54
▸ NPY1R P25929 2/20 0.54
▸ NPY4R P50391 2/20 0.54
▸ GCGR P47871 1/20 0.51
▸ GIPR P48546 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
SCHEMBL29812538 0.89 GLP1R (0.69) GLP1RSCTR
SCHEMBL30661159 0.89 NPY4R (0.62) NPY5RNPY1RNPY4R
SCHEMBL30498856 0.89 GLP1R (0.68) GLP1RSCTR
SCHEMBL30262091 0.88 VIPR2 (0.58) GLP1RSCTRVIPR2VIPR1GCGR
SCHEMBL31627809 0.87 GLP1R (0.50) GLP1RSCTR
SCHEMBL29965054 0.87 NPY4R (0.56) GLP1RSCTRNPY5RNPY1RNPY4R
SCHEMBL14479397 0.86 NPY5R (0.55) GLP1RSCTRVIPR2VIPR1NPY5R
SCHEMBL30331172 0.86 IL23R (0.51) GLP1RSCTRVIPR2VIPR1NPY5R
SCHEMBL31182916 0.86 GLP1R (0.62) GLP1RSCTRVIPR2VIPR1GCGR
SCHEMBL29964276 0.86 TFPI (0.57) GLP1RSCTRNPY5RNPY1RNPY4R

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-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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