SCHEMBL31482959

SCHEMBL31482959

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 12/20 0.67
▸ C5AR1 P21730 1/20 0.66
▸ NPY1R P25929 1/20 0.63
▸ NPY2R P49146 1/20 0.63
▸ NPY4R P50391 1/20 0.63
▸ NPY5R Q15761 1/20 0.63
▸ IL23R Q5VWK5 1/20 0.62
▸ MC4R P32245 2/20 0.61
▸ MC5R P33032 2/20 0.61
▸ MC3R P41968 2/20 0.61
▸ MC1R Q01726 2/20 0.61
▸ KISS1R Q969F8 2/20 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
SCHEMBL30439395 0.90 OPRD1 (0.67) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30607276 0.89 C5AR1 (0.68) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL38654326 0.89 C5AR1 (0.65) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31146211 0.88 CXCR4 (0.62) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31158220 0.88 CXCR4 (0.68) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29697189 0.88 KISS1R (0.65) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31683347 0.88 NPY2R (0.71) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29444580 0.88 C5AR1 (0.62) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29416050 0.88 CXCR4 (0.66) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30646301 0.88 CXCR4 (0.66) CXCR4C5AR1NPY1RNPY2RNPY4R

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-118772239-B XOD inhibitory peptides and uses 成都大学 2025-03-14 — — CN disclosed
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