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Sugi Predict / Compounds / SCHEMBL30953538

SCHEMBL30953538

SCHEMBL30953538

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.62
▸ SLC6A2 P23975 1/20 0.61
▸ REN P00797 2/20 0.58
▸ C5AR1 P21730 2/20 0.56
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 1/20 0.52

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
SCHEMBL29993706 0.94 DPP3 (0.68) DPP3SLC6A2REN
SCHEMBL16891329 0.91 CXCL8 (0.57) DPP3SLC6A2RENC5AR1OPRM1
SCHEMBL29572021 0.91 DPP3 (0.71) DPP3SLC6A2REN
SCHEMBL19787869 0.91 DPP3 (0.69) DPP3SLC6A2RENC5AR1OPRM1
SCHEMBL30955947 0.90 DPP3 (0.60) DPP3SLC6A2OPRM1
SCHEMBL31402672 0.88 KISS1R (0.63) DPP3SLC6A2RENOPRM1
SCHEMBL31071616 0.88 DPP3 (0.73) DPP3SLC6A2RENOPRM1
SCHEMBL29804127 0.88 DPP3 (0.73) DPP3SLC6A2RENOPRM1
SCHEMBL30626308 0.88 OPRM1 (0.62) DPP3SLC6A2OPRM1
SCHEMBL29637421 0.87 DPP3 (0.62) DPP3SLC6A2RENC5AR1

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-117886886-A Hexapeptide, purification preparation method and application thereof 广州市食品检验所（广州市酒类检测中心） 2024-04-16 — — CN claimed
CN-117886886-A Hexapeptide, purification preparation method and application thereof 广州市食品检验所（广州市酒类检测中心） 2024-04-16 — — CN disclosed
CN-117886886-A Hexapeptide, purification preparation method and application thereof 广州市食品检验所（广州市酒类检测中心） 2024-04-16 — — CN disclosed
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