SCHEMBL31255934

SCHEMBL31255934

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 11/20 0.66
▸ CALCA P06881 2/20 0.63
▸ NPY1R P25929 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ NPY5R Q15761 1/20 0.62
▸ C5AR1 P21730 1/20 0.60
▸ GLP1R P43220 3/20 0.57
▸ GCGR P47871 3/20 0.57
▸ PTH1R Q03431 1/20 0.57

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
SCHEMBL31622295 0.92 CXCR4 (0.64) CXCR4CALCAC5AR1GLP1R
SCHEMBL30666394 0.91 CXCR4 (0.63) CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30843899 0.88 CXCR4 (0.63) CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30176426 0.87 NPY1R (0.69) CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30512621 0.87 CXCR4 (0.64) CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL29625324 0.86 CXCR4 (0.63) CXCR4CALCAGLP1RGCGRPTH1R
SCHEMBL31158220 0.86 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30646058 0.86 KISS1R (0.64) CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL31182780 0.86 C5AR1 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30423138 0.86 CXCR4 (0.69) CXCR4CALCANPY1RNPY2RNPY4R

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-118852360-A Duck embryo source antioxidant polypeptide and application thereof 金华职业技术学院 2024-10-29 — — CN disclosed
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