Sugi Predict

Sugi Predict / Compounds / SCHEMBL31457379

SCHEMBL31457379

SCHEMBL31457379

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.69
▸ NPY4R P50391 7/20 0.69
▸ NPY5R Q15761 7/20 0.69
▸ NPY1R P25929 5/20 0.69
▸ CXCR4 P61073 4/20 0.67
▸ IL23R Q5VWK5 1/20 0.64
▸ GLP1R P43220 4/20 0.61
▸ GCGR P47871 1/20 0.60
▸ GIPR P48546 1/20 0.60
▸ C5AR1 P21730 1/20 0.60

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
SCHEMBL30615288 0.94 CXCR4 (0.68) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182564 0.91 NPY1R (0.70) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29903312 0.91 IL23R (0.67) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30658345 0.90 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182666 0.90 CXCR4 (0.68) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30658240 0.90 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29410243 0.90 CXCR4 (0.72) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30658403 0.90 CXCR4 (0.71) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182503 0.89 NPY2R (0.72) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30415481 0.89 CXCR4 (0.62) NPY2RNPY4RNPY5RNPY1RCXCR4

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
US-20250213654-A1 PEPTIDES AND METHODS FOR USE IN TREATING PAIN CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2025-07-03 — — US disclosed
CN-119730868-A Peptides and methods for treating pain 塔法吉斯生技公司 2025-03-28 — — CN disclosed
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