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SCHEMBL29991271

SCHEMBL29991271

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 11/20 0.73
▸ CCKBR P32239 4/20 0.73
▸ CALCR P30988 4/20 0.72
▸ NPY1R P25929 1/20 0.72
▸ NPY2R P49146 1/20 0.72
▸ NPY4R P50391 1/20 0.72
▸ NPY5R Q15761 1/20 0.72
▸ C5AR1 P21730 1/20 0.68
▸ GCGR P47871 3/20 0.67
▸ CXCR4 P61073 1/20 0.67

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
SCHEMBL30646306 0.95 NPY1R (0.72) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721629 0.95 GLP1R (0.70) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30692442 0.95 NPY1R (0.71) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29416095 0.95 NPY1R (0.71) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL31182875 0.95 NPY1R (0.69) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29429581 0.95 NPY1R (0.74) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29429583 0.95 NPY1R (0.74) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30771981 0.95 CALCR (0.77) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL31182507 0.95 NPY1R (0.72) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721558 0.94 NPY1R (0.72) GLP1RCCKBRCALCRNPY1RNPY2R

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-110256537-B Bifunctional polypeptide with helicobacter pylori resistance and inflammation factor inhibition functions and application thereof 华中科技大学同济医学院附属同济医院 2022-10-11 — — CN claimed
CN-110256537-B Bifunctional polypeptide with helicobacter pylori resistance and inflammation factor inhibition functions and application thereof 华中科技大学同济医学院附属同济医院 2022-10-11 — — CN disclosed
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