Sugi Predict

Sugi Predict / Compounds / SCHEMBL31452911

SCHEMBL31452911

SCHEMBL31452911

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.65
▸ C5AR1 P21730 1/20 0.63
▸ CXCR4 P61073 3/20 0.59
▸ GLP1R P43220 4/20 0.58
▸ GCGR P47871 3/20 0.58
▸ EPHA2 P29317 2/20 0.58
▸ RAMP3 O60896 1/20 0.58
▸ HCRTR1 O43613 1/20 0.58
▸ HCRTR2 O43614 1/20 0.58
▸ NPY2R P49146 2/20 0.57
▸ NPY4R P50391 2/20 0.57
▸ NPY5R Q15761 2/20 0.57
▸ NPY1R P25929 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
SCHEMBL30752384 0.91 CALCR (0.71) CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL30752380 0.90 CALCR (0.71) CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL31167610 0.90 CALCR (0.71) CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL30567018 0.90 CALCR (0.69) CALCRC5AR1GLP1RGCGRNPY2R
SCHEMBL31167611 0.90 CALCR (0.71) CALCRC5AR1GLP1RGCGRNPY2R
SCHEMBL30436896 0.90 CALCR (0.68) CALCRC5AR1GLP1RGCGRRAMP3
SCHEMBL30495793 0.89 CALCR (0.67) CALCRC5AR1GLP1RGCGRNPY2R
SCHEMBL29767745 0.89 CALCR (0.63) CALCRC5AR1CXCR4GLP1RHCRTR1
SCHEMBL30607329 0.89 F2 (0.68) CALCRC5AR1GLP1RGCGRRAMP3
SCHEMBL30008485 0.89 CALCR (0.62) CALCRC5AR1CXCR4GLP1RHCRTR1

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-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN claimed
CN-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN disclosed
Send feedback