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Sugi Predict / Compounds / SCHEMBL38660301

SCHEMBL38660301

SCHEMBL38660301

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 16/20 0.54
▸ NTSR1 P30989 16/20 0.54
▸ SORT1 Q99523 13/20 0.54
▸ OPRD1 P41143 2/20 0.46

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
SCHEMBL38658921 0.92 NTSR2 (0.46) NTSR2NTSR1SORT1
SCHEMBL38658470 0.91 NTSR2 (0.46) NTSR2NTSR1SORT1OPRD1
SCHEMBL38659957 0.90 NTSR2 (0.49) NTSR2NTSR1SORT1
SCHEMBL38658726 0.88 XIAP (0.49) NTSR2NTSR1SORT1
SCHEMBL31295889 0.85 NTSR1 (0.61) NTSR2NTSR1SORT1
SCHEMBL30630163 0.85 NTSR2 (0.52) NTSR2NTSR1SORT1
SCHEMBL31307228 0.84 NTSR1 (0.54) NTSR2NTSR1SORT1OPRD1
SCHEMBL31211770 0.82 APLNR (0.46) NTSR2NTSR1
SCHEMBL30512495 0.81 NTSR1 (0.55) NTSR2NTSR1SORT1
SCHEMBL29801725 0.79 NTSR2 (0.57) NTSR2NTSR1OPRD1

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-122036846-A Orally absorbable DPP-IV (dipeptidyl peptidase IV) inhibitory tetrapeptides and derivatives and application thereof 自然资源部第三海洋研究所 2026-05-15 — — CN claimed
CN-122036846-A Orally absorbable DPP-IV (dipeptidyl peptidase IV) inhibitory tetrapeptides and derivatives and application thereof 自然资源部第三海洋研究所 2026-05-15 — — CN disclosed
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