SCHEMBL31380449

SCHEMBL31380449

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 3/20 0.48
NMUR1 Q9HB89 3/20 0.48
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
CXCR4 P61073 2/20 0.46
OPRM1 P35372 5/20 0.44
OPRK1 P41145 5/20 0.44
NTSR2 O95665 3/20 0.44
NTSR1 P30989 3/20 0.44
NPY1R P25929 1/20 0.44
EPHA2 P29317 2/20 0.44
KEAP1 Q14145 1/20 0.44
SORT1 Q99523 1/20 0.44
APLNR P35414 1/20 0.44

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
SCHEMBL30799261 0.93 NMUR2 (0.49) NMUR2NMUR1CXCR4OPRM1OPRK1
SCHEMBL5313550 0.89 NMUR2 (0.50) NMUR2NMUR1CXCR4EPHA2
SCHEMBL5313552 0.89 NMUR2 (0.50) NMUR2NMUR1CXCR4EPHA2
SCHEMBL29557983 0.89 OPRM1 (0.49) NMUR2NMUR1OPRM1OPRK1NTSR2
SCHEMBL31031571 0.88 NMUR2 (0.51) NMUR2NMUR1CXCR4EPHA2
SCHEMBL29608389 0.88 OPRM1 (0.51) NMUR2NMUR1CXCR4OPRM1OPRK1
SCHEMBL30439577 0.87 CXCR4 (0.45) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL7759489 0.87 MAPK8 (0.45) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL7759499 0.87 MAPK8 (0.45) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL29701311 0.87 OPRM1 (0.46) NMUR2NMUR1CXCR4OPRM1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708138-B Apostichopus japonicus collagen peptide and application thereof 渤海大学 2025-06-24 CN disclosed
CN-119708138-B Apostichopus japonicus collagen peptide and application thereof 渤海大学 2025-06-24 CN disclosed
CN-119708138-A Apostichopus japonicus collagen peptide and application thereof 渤海大学 2025-03-28 CN disclosed
CN-119708138-A Apostichopus japonicus collagen peptide and application thereof 渤海大学 2025-03-28 CN disclosed