SCHEMBL30862104

SCHEMBL30862104

CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ NPY2R P49146 7/20 0.50
▸ NPY4R P50391 7/20 0.50
▸ NPY5R Q15761 7/20 0.50
▸ NPY1R P25929 5/20 0.50
▸ C5AR1 P21730 1/20 0.50
▸ GLP1R P43220 3/20 0.49
▸ GCGR P47871 3/20 0.49
▸ APLNR P35414 1/20 0.49
▸ EPHA2 P29317 2/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ F2 P00734 1/20 0.49

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
SCHEMBL30441868 0.91 F2 (0.52) CTSLCTSSCTSKCTSHNPY2R
SCHEMBL30442638 0.91 F2 (0.51) CTSLCTSSCTSKCTSHNPY2R
SCHEMBL29808351 0.90 F2 (0.54) CTSLCTSSCTSKCTSHNPY2R
SCHEMBL30898604 0.89 F2 (0.58) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL29808558 0.89 F2 (0.54) CTSLCTSSCTSKCTSHNPY2R
SCHEMBL30883258 0.89 CTSL (0.55) CTSLCTSSCTSKCTSHNPY2R
SCHEMBL30570970 0.88 APLNR (0.55) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30262103 0.88 F2 (0.60) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL30208250 0.87 EPHA2 (0.56) CTSLCTSSCTSKCTSHNPY2R
SCHEMBL9295042 0.87 RAMP3 (0.52) CTSLCTSSCTSKCTSHC5AR1

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-117924418-A Walnut protein octapeptide with alcoholic hepatocyte injury pre-protection effect, and preparation method and application thereof 华南农业大学 2024-04-26 — — CN claimed
CN-117924418-A Walnut protein octapeptide with alcoholic hepatocyte injury pre-protection effect, and preparation method and application thereof 华南农业大学 2024-04-26 — — CN disclosed
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