SCHEMBL30512790

SCHEMBL30512790

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 4/20 0.49
▸ SCTR P47872 1/20 0.49
▸ C5AR1 P21730 1/20 0.47
▸ TFPI P10646 1/20 0.47
▸ MC4R P32245 1/20 0.47
▸ CALCR P30988 4/20 0.47
▸ BACE1 P56817 6/20 0.47
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ CTSD P07339 1/20 0.47
▸ GRPR P30550 1/20 0.47
▸ F2 P00734 2/20 0.46

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
SCHEMBL30209777 0.93 GLP1R (0.50) GLP1RSCTRC5AR1TFPICALCR
SCHEMBL30209778 0.91 BACE1 (0.56) GLP1RSCTRTFPICALCRBACE1
SCHEMBL29748370 0.90 MC4R (0.45) GLP1RSCTRC5AR1MC4RF2
SCHEMBL31438606 0.88 TFPI (0.54) GLP1RSCTRTFPICALCRGRPR
SCHEMBL31442273 0.88 GLP1R (0.51) GLP1RSCTRF2
SCHEMBL31442112 0.88 GLP1R (0.50) GLP1RSCTRCALCRF2
SCHEMBL29394888 0.87 GLP1R (0.58) GLP1RSCTRCALCR
SCHEMBL29802142 0.87 OPRD1 (0.47) GLP1RSCTR
SCHEMBL29922493 0.87 GLP1R (0.57) GLP1RSCTRCALCRF2
SCHEMBL30425532 0.86 MC4R (0.45) GLP1RSCTRMC4RCALCRF2

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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