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Sugi Predict / Compounds / SCHEMBL30455728

SCHEMBL30455728

SCHEMBL30455728

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 4/20 0.58
▸ NTSR1 P30989 4/20 0.58
▸ SORT1 Q99523 4/20 0.58
▸ OPRM1 P35372 7/20 0.58
▸ OPRK1 P41145 7/20 0.58
▸ OPRD1 P41143 3/20 0.57
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ REN P00797 1/20 0.55

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
SCHEMBL29607236 0.92 MAPK8 (0.61) NTSR2NTSR1SORT1MAPK8MAPK9
SCHEMBL30775521 0.89 NTSR1 (0.68) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL29464015 0.89 MAPK8 (0.59) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL31437672 0.89 NTSR1 (0.64) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL1421513 0.89 NTSR1 (0.72) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL1421598 0.89 NTSR1 (0.72) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL1421525 0.89 NTSR1 (0.72) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL1421931 0.89 OPRD1 (0.69) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL1421888 0.89 OPRD1 (0.69) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL1421906 0.89 OPRD1 (0.69) NTSR2NTSR1SORT1OPRM1OPRK1

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
WO-2023120844-A1 COMPOSITION FOR MASS PROLIFERATING NATURAL KILLER CELLS, COMPRISING NOVEL PEPTIDE, AND METHOD FOR MASS PROLIFERATING NATURAL KILLER CELLS BY USING SAME 엔케이젠 주식회사 2023-06-29 — — WO claimed
WO-2023120844-A1 COMPOSITION FOR MASS PROLIFERATING NATURAL KILLER CELLS, COMPRISING NOVEL PEPTIDE, AND METHOD FOR MASS PROLIFERATING NATURAL KILLER CELLS BY USING SAME 엔케이젠 주식회사 2023-06-29 — — WO disclosed