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Rinnipwseamm

Rinnipwseamm

SCHEMBL30420540

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.58
▸ CTSL P07711 3/20 0.58
▸ CTSS P25774 3/20 0.58
▸ CTSK P43235 3/20 0.58
▸ CTSH P09668 1/20 0.58
▸ PTH1R Q03431 1/20 0.56
▸ CXCL8 P10145 7/20 0.56
▸ KEAP1 Q14145 2/20 0.55
▸ GLP1R P43220 2/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55

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
SCHEMBL10000491 0.95 KEAP1 (0.59) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30495836 0.90 GLP1R (0.66) CXCR4PTH1RKEAP1GLP1RNPY1R
SCHEMBL31694492 0.89 KEAP1 (0.70) CXCR4PTH1RCXCL8KEAP1GLP1R
SCHEMBL30176440 0.88 NPY1R (0.64) CXCR4PTH1RKEAP1GLP1RNPY1R
SCHEMBL29415999 0.87 NPY1R (0.59) CXCR4PTH1RCXCL8KEAP1GLP1R
SCHEMBL29743005 0.87 KEAP1 (0.62) KEAP1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31182954 0.87 KEAP1 (0.67) CXCR4PTH1RKEAP1GLP1RNPY1R
SCHEMBL30780078 0.87 KEAP1 (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31419719 0.87 NPY1R (0.62) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30218939 0.86 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH

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-116172956-B Composition for targeted delivery of anti-HIV drug, pharmaceutical composition and preparation method 中国人民解放军军事科学院军事医学研究院 2023-09-22 — — CN disclosed
CN-116172956-A Composition for targeted delivery of anti-HIV drug, pharmaceutical composition and preparation method 中国人民解放军军事科学院军事医学研究院 2023-05-30 — — CN disclosed
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