SCHEMBL29973471

SCHEMBL29973471

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 19/20 0.60
▸ IL23R Q5VWK5 1/20 0.57
▸ CCKBR P32239 2/20 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
SCHEMBL29973297 0.95 GLP1R (0.62) GLP1RCCKBR
SCHEMBL29973282 0.94 EDNRA (0.56) GLP1RIL23R
SCHEMBL29565282 0.92 GLP1R (0.60) GLP1R
SCHEMBL29973140 0.90 CALCR (0.61) GLP1RCCKBR
SCHEMBL31376429 0.90 PTH1R (0.60) GLP1R
SCHEMBL31683359 0.89 GLP1R (0.64) GLP1RIL23RCCKBR
SCHEMBL31688308 0.88 GLP1R (0.63) GLP1R
SCHEMBL30605039 0.88 GLP1R (0.69) GLP1R
SCHEMBL31331962 0.87 GLP1R (0.57) GLP1R
SCHEMBL11430235 0.87 IL23R (0.58) GLP1RIL23R

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
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
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