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Sugi Predict / Compounds / SCHEMBL30608550

SCHEMBL30608550

SCHEMBL30608550

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.44
▸ C5AR1 P21730 1/20 0.43
▸ GLP1R P43220 4/20 0.41
▸ SCTR P47872 1/20 0.41
▸ NPBWR1 P48145 3/20 0.41
▸ CALCR P30988 2/20 0.40
▸ CRHR1 P34998 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ CXCR4 P61073 1/20 0.40

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
SCHEMBL31676546 0.94 SLC15A2 (0.42) C5AR1GLP1RSCTRNPBWR1
SCHEMBL31676636 0.94 SLC15A2 (0.42) C5AR1GLP1RSCTRNPBWR1
SCHEMBL30974081 0.90 GLP1R (0.49) OPRL1GLP1RSCTRCALCRCRHR1
SCHEMBL31032683 0.89 GLP1R (0.51) OPRL1C5AR1GLP1RSCTRCXCR4
SCHEMBL31032668 0.89 GLP1R (0.51) OPRL1C5AR1GLP1RSCTRCXCR4
SCHEMBL8581740 0.88 GLP1R (0.47) OPRL1C5AR1GLP1RSCTRNPBWR1
SCHEMBL8581746 0.88 GLP1R (0.47) OPRL1C5AR1GLP1RSCTRNPBWR1
SCHEMBL30974417 0.88 GLP1R (0.49) OPRL1GLP1RSCTRCALCRCRHR1
SCHEMBL29802142 0.88 OPRD1 (0.47) OPRL1GLP1RSCTR
SCHEMBL30974069 0.87 OPRD1 (0.51) OPRL1GLP1RSCTRCALCR

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-116875578-B Triplet fusion enzyme, preparation method thereof and method for preparing nicotinamide mononucleotide by using triplet fusion enzyme 康盈红莓(中山)生物科技有限公司 2024-10-01 — — CN disclosed
CN-116875578-A Triplet fusion enzyme, preparation method thereof and method for preparing nicotinamide mononucleotide by using triplet fusion enzyme 康盈红莓(中山)生物科技有限公司 2023-10-13 — — CN disclosed
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