SCHEMBL30209777

SCHEMBL30209777

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 6/20 0.50
▸ SCTR P47872 1/20 0.50
▸ CALCR P30988 4/20 0.49
▸ F2 P00734 4/20 0.49
▸ BACE1 P56817 2/20 0.49
▸ TFPI P10646 1/20 0.48
▸ CRHR1 P34998 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ C5AR1 P21730 1/20 0.47

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
SCHEMBL30209778 0.94 BACE1 (0.56) GLP1RSCTRCALCRF2BACE1
SCHEMBL30512790 0.93 GLP1R (0.49) GLP1RSCTRCALCRF2BACE1
SCHEMBL29499670 0.90 CALCR (0.56) GLP1RSCTRCALCRTFPICRHR1
SCHEMBL31442273 0.90 GLP1R (0.51) GLP1RSCTRF2
SCHEMBL31442112 0.89 GLP1R (0.50) GLP1RSCTRCALCRF2
SCHEMBL30537027 0.89 CALCR (0.47) GLP1RSCTRCALCRF2
SCHEMBL29922493 0.88 GLP1R (0.57) GLP1RSCTRCALCRF2CRHR1
SCHEMBL30804653 0.88 CALCR (0.59) GLP1RSCTRCALCRCRHR1CRHR2
SCHEMBL29992932 0.87 F2 (0.55) GLP1RSCTRCALCRF2TFPI
SCHEMBL29499672 0.87 CALCR (0.55) GLP1RSCTRCALCRTFPICRHR1

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-115838436-A Anti-tumor polypeptide B5-X of targeting ITG beta 5-14-3-3 zeta compound and preparation method and application thereof 中国医科大学附属第一医院 2023-03-24 — — CN disclosed
CN-115838436-A Anti-tumor polypeptide B5-X of targeting ITG beta 5-14-3-3 zeta compound and preparation method and application thereof 中国医科大学附属第一医院 2023-03-24 — — CN disclosed
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