SCHEMBL30512592

SCHEMBL30512592

CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.60
▸ IL23R Q5VWK5 1/20 0.57
▸ C5AR1 P21730 1/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ MC4R P32245 1/20 0.55
▸ MC5R P33032 1/20 0.55
▸ MC3R P41968 1/20 0.55
▸ MC1R Q01726 1/20 0.55
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.54
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ PTH1R Q03431 2/20 0.53
▸ CTNNB1 P35222 1/20 0.51

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
SCHEMBL30432221 0.89 IL23R (0.62) CXCR4IL23RC5AR1KEAP1MC4R
SCHEMBL30437444 0.88 CXCR4 (0.65) CXCR4KEAP1CTSLCTSSCTSK
SCHEMBL31182666 0.87 CXCR4 (0.68) CXCR4IL23RKEAP1MC4RMC5R
SCHEMBL30978822 0.86 CXCR4 (0.60) CXCR4IL23RC5AR1NPY1RNPY2R
SCHEMBL31020887 0.86 CXCR4 (0.68) CXCR4IL23RKEAP1NPY1RNPY2R
SCHEMBL29645132 0.86 CXCR4 (0.62) CXCR4IL23RC5AR1KEAP1NPY1R
SCHEMBL30702429 0.86 CXCL8 (0.55) CXCR4C5AR1KEAP1NPY1RNPY2R
SCHEMBL30432427 0.85 KEAP1 (0.64) CXCR4KEAP1NPY1RNPY2RNPY4R
SCHEMBL31182954 0.85 KEAP1 (0.67) CXCR4KEAP1NPY1RNPY2RNPY4R
SCHEMBL30431356 0.85 CXCR4 (0.66) CXCR4IL23RKEAP1CTSLCTSS

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-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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