SCHEMBL30455187

SCHEMBL30455187

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 8/20 0.50
▸ CALCR P30988 8/20 0.50
▸ OPRM1 P35372 6/20 0.50
▸ OPRK1 P41145 6/20 0.50
▸ NMUR2 Q9GZQ4 3/20 0.49
▸ NMUR1 Q9HB89 3/20 0.49
▸ CXCR4 P61073 1/20 0.48
▸ EPHA2 P29317 1/20 0.47

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
SCHEMBL29380657 0.95 OPRM1 (0.53) RAMP3CALCROPRM1OPRK1CXCR4
SCHEMBL30937368 0.89 RAMP3 (0.44) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL11840352 0.87 OPRM1 (0.49) OPRM1OPRK1NMUR2NMUR1EPHA2
SCHEMBL29580287 0.87 CXCR4 (0.45) OPRM1OPRK1NMUR2NMUR1CXCR4
SCHEMBL29963046 0.86 CXCR4 (0.47) RAMP3CALCRNMUR2NMUR1CXCR4
Fluoride SCHEMBL11841792 0.86 OPRM1 (0.48) OPRM1OPRK1NMUR2NMUR1EPHA2
SCHEMBL38655507 0.86 OPRM1 (0.55) RAMP3CALCROPRM1OPRK1NMUR2
SCHEMBL29904044 0.86 OPRM1 (0.55) RAMP3CALCROPRM1OPRK1NMUR2
SCHEMBL30900799 0.85 NMUR2 (0.48) RAMP3CALCRNMUR2NMUR1
SCHEMBL30974063 0.85 NMUR2 (0.52) RAMP3CALCRNMUR2NMUR1

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
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