Sugi Predict

Sugi Predict / Compounds / SCHEMBL30398408

SCHEMBL30398408

SCHEMBL30398408

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ NPY5R Q15761 1/20 0.65
▸ CXCR4 P61073 3/20 0.62
▸ KISS1R Q969F8 4/20 0.62
▸ CXCL8 P10145 9/20 0.62
▸ C5AR1 P21730 1/20 0.59
▸ EPHA2 P29317 1/20 0.58

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
SCHEMBL29351200 0.92 NPY2R (0.73) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29578881 0.92 NPY2R (0.73) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30673321 0.91 CXCR4 (0.60) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31410855 0.89 KISS1R (0.65) NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL31182571 0.89 NPY2R (0.71) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29599104 0.89 NPY1R (0.65) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31307225 0.89 IL23R (0.65) NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL30786585 0.89 KISS1R (0.68) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29552852 0.89 KISS1R (0.68) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31000945 0.88 C5AR1 (0.73) NPY1RNPY2RNPY4RNPY5RCXCR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082459-A Preparation and application of targeting polypeptide H-5 specifically combined with human EGF receptor-2 江苏科缔思生物科技有限公司 2023-05-09 — — CN claimed
CN-116082459-A Preparation and application of targeting polypeptide H-5 specifically combined with human EGF receptor-2 江苏科缔思生物科技有限公司 2023-05-09 — — CN disclosed
CN-116082459-A Preparation and application of targeting polypeptide H-5 specifically combined with human EGF receptor-2 江苏科缔思生物科技有限公司 2023-05-09 — — CN disclosed
Send feedback