Sugi Predict

Sugi Predict / Compounds / SCHEMBL30320533

SCHEMBL30320533

SCHEMBL30320533

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.60
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 1/20 0.59
▸ GLP1R P43220 12/20 0.59
▸ KEAP1 Q14145 1/20 0.58
▸ CCKBR P32239 2/20 0.58
▸ GCGR P47871 1/20 0.57
▸ GIPR P48546 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
SCHEMBL31575690 0.93 CXCR4 (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29758434 0.90 CXCR4 (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182544 0.90 NPY1R (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30262217 0.89 CXCR4 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182980 0.89 NPY1R (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906422 0.89 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29811065 0.89 NPY2R (0.71) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29716758 0.89 CXCR4 (0.60) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31073551 0.88 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29679866 0.88 NPY1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R

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-111269289-B Tumor cell affinity peptide separated from venenum bufonis and screening method thereof 南京中医药大学 2023-04-18 — — CN disclosed
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