SCHEMBL29556880

SCHEMBL29556880

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 19/20 0.57
▸ SCTR P47872 1/20 0.56
▸ TFPI P10646 1/20 0.56

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
SCHEMBL31690552 0.93 GLP1R (0.61) GLP1RSCTRTFPI
SCHEMBL31690549 0.92 GLP1R (0.61) GLP1RSCTRTFPI
Nbi-6024 SCHEMBL29355419 0.92 GLP1R (0.52) GLP1RSCTRTFPI
SCHEMBL31683310 0.90 GLP1R (0.53) GLP1RSCTR
SCHEMBL29836519 0.90 GLP1R (0.59) GLP1R
SCHEMBL29836466 0.90 GLP1R (0.59) GLP1R
SCHEMBL30184274 0.88 CALCR (0.52) GLP1RSCTRTFPI
SCHEMBL30865076 0.88 CALCR (0.52) GLP1RSCTRTFPI
SCHEMBL29836394 0.88 GLP1R (0.62) GLP1RTFPI
SCHEMBL30168705 0.88 GLP1R (0.58) GLP1RSCTR

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-111925420-B Application of polypeptide as olfactory receptor Olfr109 agonist ligand 山东大学 2022-04-01 — — CN disclosed
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