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SCHEMBL31399734

SCHEMBL31399734

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 5/20 0.51
▸ CXCR4 P61073 4/20 0.51
▸ C5AR1 P21730 1/20 0.50
▸ GHSR Q92847 2/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ GLP1R P43220 4/20 0.48
▸ ERAP2 Q6P179 1/20 0.48
▸ NPBWR1 P48145 1/20 0.48
▸ GCGR P47871 1/20 0.48
▸ KISS1R Q969F8 1/20 0.47

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
SCHEMBL31399744 0.99 IL23R (0.51) IL23RCXCR4C5AR1GHSRNPY2R
SCHEMBL31399727 0.98 CXCR4 (0.53) IL23RCXCR4GLP1RNPBWR1GCGR
SCHEMBL31454223 0.95 C5AR1 (0.54) CXCR4C5AR1GHSRNPY2RGLP1R
SCHEMBL31454225 0.91 GLP1R (0.56) GHSRNPY2RGLP1RGCGRKISS1R
SCHEMBL31473234 0.91 NPBWR1 (0.53) CXCR4C5AR1GHSRNPY2RGLP1R
SCHEMBL31473233 0.91 NPBWR1 (0.53) CXCR4C5AR1GHSRNPY2RGLP1R
SCHEMBL30590790 0.90 ECE1 (0.53) GHSRERAP2
SCHEMBL30518069 0.90 C5AR1 (0.59) C5AR1GHSRNPY2RERAP2NPBWR1
SCHEMBL30860218 0.90 PTH1R (0.59) IL23RGHSRNPY2RGLP1RGCGR
SCHEMBL29754547 0.89 C5AR1 (0.55) C5AR1GHSR

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-119771358-A Magnetic composite adsorbent for blood perfusion and preparation method and application thereof 重庆希尔康血液净化器材研发有限公司 2025-04-08 — — CN claimed
CN-119771358-B Magnetic composite adsorbent for blood perfusion and preparation method and application thereof 重庆希尔康血液净化器材研发有限公司 2025-12-05 — — CN disclosed
CN-119771358-A Magnetic composite adsorbent for blood perfusion and preparation method and application thereof 重庆希尔康血液净化器材研发有限公司 2025-04-08 — — CN disclosed
CN-119771358-A Magnetic composite adsorbent for blood perfusion and preparation method and application thereof 重庆希尔康血液净化器材研发有限公司 2025-04-08 — — CN disclosed
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