Sugi Predict

Sugi Predict / Compounds / SCHEMBL29625326

SCHEMBL29625326

SCHEMBL29625326

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.72
▸ NPY2R P49146 1/20 0.72
▸ NPY4R P50391 1/20 0.72
▸ NPY5R Q15761 1/20 0.72
▸ CXCR4 P61073 5/20 0.68
▸ GLP1R P43220 11/20 0.66
▸ KEAP1 Q14145 1/20 0.65
▸ GIPR P48546 6/20 0.65
▸ GCGR P47871 2/20 0.64

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
SCHEMBL30658333 0.94 NPY2R (0.73) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29843747 0.93 NPY1R (0.73) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30906424 0.92 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182921 0.92 NPY2R (0.76) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30824296 0.92 NPY2R (0.74) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658244 0.92 NPY2R (0.76) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182610 0.91 NPY2R (0.75) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658277 0.91 NPY2R (0.75) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31683347 0.91 NPY2R (0.71) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29430200 0.91 NPY2R (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114344451-B Application of Reg4 antibacterial peptide in treatment of pseudomonas aeruginosa infectious pneumonia 上海市肺科医院 2023-09-26 — — CN disclosed
CN-114409758-A Application of Reg4 antibacterial peptide in treatment of pathogenic escherichia coli infection 上海市儿科医学研究所 2022-04-29 — — CN disclosed
Send feedback