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SCHEMBL30423484

SCHEMBL30423484

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 4/20 0.60
▸ GCGR P47871 4/20 0.60
▸ GIPR P48546 1/20 0.60
▸ CALCR P30988 10/20 0.60
▸ KEAP1 Q14145 1/20 0.59
▸ RAMP3 O60896 6/20 0.59
▸ NPY2R P49146 3/20 0.58
▸ NPY4R P50391 3/20 0.58
▸ NPY5R Q15761 3/20 0.58
▸ NPY1R P25929 2/20 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
SCHEMBL30511759 0.91 CALCR (0.66) GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL30576961 0.91 RAMP3 (0.59) CALCRRAMP3
SCHEMBL30436896 0.90 CALCR (0.68) GLP1RGCGRCALCRRAMP3NPY2R
SCHEMBL31182502 0.90 CALCR (0.73) GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL31182616 0.90 RAMP3 (0.63) GLP1RGCGRGIPRCALCRRAMP3
SCHEMBL30567018 0.90 CALCR (0.69) GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL30495793 0.90 CALCR (0.67) GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL31182722 0.89 GLP1R (0.62) GLP1RGCGRGIPRCALCRKEAP1
SCHEMBL30883205 0.88 F2 (0.61) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30974077 0.88 EPHA2 (0.57) GLP1RGCGRGIPRCALCRKEAP1

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-110199029-B Method for preparing rebaudioside C by enzyme method 百事可乐公司 2023-09-05 — — CN disclosed
CN-110177881-B Method for preparing rebaudioside J by enzyme method 百事可乐公司 2023-06-02 — — CN disclosed
CN-109890973-B Method for preparing rebaudioside N by enzyme method 百事可乐公司 2023-05-23 — — CN disclosed
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