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Sugi Predict / Compounds / SCHEMBL29819538

SCHEMBL29819538

SCHEMBL29819538

CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.66
▸ NPY2R P49146 1/20 0.66
▸ NPY4R P50391 1/20 0.66
▸ NPY5R Q15761 1/20 0.66
▸ CXCL8 P10145 10/20 0.65
▸ CXCR4 P61073 3/20 0.62
▸ GLP1R P43220 4/20 0.60
▸ GCGR P47871 4/20 0.60
▸ GIPR P48546 1/20 0.59

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
SCHEMBL29578881 0.92 NPY2R (0.73) NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL29351200 0.92 NPY2R (0.73) NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL30578730 0.91 NPY1R (0.70) NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL30432412 0.90 GLP1R (0.64) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495708 0.89 CXCR4 (0.71) NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL30527868 0.88 GLP1R (0.71) NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL31182548 0.88 GLP1R (0.70) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30437293 0.88 NPY2R (0.63) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29903384 0.88 NPY2R (0.66) NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416064 0.87 CXCR4 (0.62) NPY1RNPY2RNPY4RNPY5RCXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114848800-B Application of TMPF peptide in preparation of medicines for treating and/or preventing pain diseases 苏州大学 2023-06-27 — — CN claimed
CN-114848800-A Application of TMPF peptide in preparation of medicine for treating and/or preventing pain diseases 苏州大学 2022-08-05 — — CN claimed
CN-114848800-B Application of TMPF peptide in preparation of medicines for treating and/or preventing pain diseases 苏州大学 2023-06-27 — — CN disclosed
CN-114848800-A Application of TMPF peptide in preparation of medicine for treating and/or preventing pain diseases 苏州大学 2022-08-05 — — CN disclosed
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