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SCHEMBL31544061

SCHEMBL31544061

CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.73
▸ KEAP1 Q14145 1/20 0.68
▸ GLP1R P43220 8/20 0.65
▸ GCGR P47871 7/20 0.65
▸ CTSL P07711 3/20 0.64
▸ CTSS P25774 3/20 0.64
▸ CTSK P43235 3/20 0.64
▸ CTSH P09668 1/20 0.64
▸ MC4R P32245 1/20 0.63
▸ MC5R P33032 1/20 0.63
▸ MC3R P41968 1/20 0.63
▸ MC1R Q01726 1/20 0.63
▸ NMBR P28336 1/20 0.63
▸ GRPR P30550 1/20 0.63
▸ APLNR P35414 1/20 0.62
▸ NPY1R P25929 1/20 0.61
▸ NPY2R P49146 1/20 0.61
▸ NPY4R P50391 1/20 0.61
▸ NPY5R Q15761 1/20 0.61
▸ GIPR P48546 4/20 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
SCHEMBL29737187 0.96 C5AR1 (0.75) C5AR1KEAP1GLP1RGCGRMC4R
SCHEMBL30724494 0.94 C5AR1 (0.74) C5AR1KEAP1GLP1RGCGRMC4R
SCHEMBL30845539 0.94 C5AR1 (0.72) C5AR1KEAP1GLP1RGCGRMC4R
SCHEMBL30082666 0.92 GLP1R (0.73) C5AR1KEAP1GLP1RGCGRNMBR
SCHEMBL30017682 0.92 C5AR1 (0.77) C5AR1KEAP1GLP1RGCGRCTSL
SCHEMBL29973172 0.92 C5AR1 (0.77) C5AR1KEAP1GLP1RGCGRCTSL
SCHEMBL30578713 0.91 C5AR1 (0.73) C5AR1KEAP1GLP1RGCGRNPY1R
SCHEMBL29755703 0.91 GLP1R (0.72) C5AR1KEAP1GLP1RGCGRMC4R
SCHEMBL20764721 0.91 GRPR (0.70) C5AR1KEAP1GLP1RGCGRCTSL
SCHEMBL29965030 0.90 C5AR1 (0.74) C5AR1KEAP1GLP1RGCGRCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119909187-A Use of intestinal flora modulator in preparation of medicine for preventing and/or treating brain nerve diseases 中国科学院脑科学与智能技术卓越创新中心 2025-05-02 — — CN disclosed
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