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SCHEMBL30511770

SCHEMBL30511770

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 16/20 0.58
▸ GCGR P47871 1/20 0.55
▸ PTH1R Q03431 1/20 0.54
▸ KEAP1 Q14145 1/20 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
SCHEMBL30567007 0.98 GLP1R (0.56) GLP1RGCGR
SCHEMBL31041075 0.90 PTH1R (0.67) GLP1RGCGRPTH1RKEAP1
SCHEMBL31182687 0.89 GLP1R (0.69) GLP1R
SCHEMBL30432454 0.88 PTH1R (0.67) GLP1RGCGRPTH1RKEAP1
SCHEMBL30403458 0.88 GLP1R (0.61) GLP1RGCGRPTH1R
SCHEMBL29883653 0.87 GRPR (0.62) GLP1RGCGRPTH1RKEAP1
SCHEMBL30118955 0.87 GLP1R (0.71) GLP1R
SCHEMBL30380786 0.86 PTH1R (0.60) GLP1RGCGRPTH1R
SCHEMBL31073592 0.86 GLP1R (0.56) GLP1RGCGR
SCHEMBL31098010 0.86 GLP1R (0.68) GLP1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478270-A Notch1 fragment peptides and their anti-leukemia effect 浙江理工大学 2023-07-25 — — CN claimed
CN-116478270-A Notch1 fragment peptides and their anti-leukemia effect 浙江理工大学 2023-07-25 — — CN disclosed
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