SCHEMBL31303209

SCHEMBL31303209

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.43
▸ NMUR2 Q9GZQ4 4/20 0.40
▸ NMUR1 Q9HB89 4/20 0.40
▸ BDKRB2 P30411 1/20 0.40
▸ EPHA2 P29317 3/20 0.40
▸ MC4R P32245 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ APLNR P35414 1/20 0.37

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
SCHEMBL31437207 0.94 CXCR4 (0.43) CXCR4NMUR2NMUR1EPHA2MC4R
SCHEMBL31165891 0.88 NRP1 (0.41) CXCR4NMUR2NMUR1EPHA2OPRM1
SCHEMBL29630805 0.88 BDKRB2 (0.41) CXCR4NMUR2NMUR1BDKRB2OPRM1
SCHEMBL30866232 0.86 ACE (0.44) CXCR4EPHA2OPRM1
SCHEMBL31303212 0.85 CXCR4 (0.50) CXCR4NMUR2NMUR1MC4R
SCHEMBL31437157 0.84 KEAP1 (0.43) CXCR4NMUR2NMUR1EPHA2MC4R
SCHEMBL29597171 0.84 CXCR4 (0.46) CXCR4NMUR2NMUR1EPHA2OPRM1
SCHEMBL31437194 0.84 ACE (0.42) CXCR4EPHA2OPRM1
SCHEMBL30471672 0.83 F2 (0.39) —
SCHEMBL29881028 0.83 OPRM1 (0.47) CXCR4NMUR2NMUR1EPHA2OPRM1

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-119219738-A Alternaria sinica antihypertensive peptide as well as preparation method and application thereof 湘潭大学 2024-12-31 — — CN claimed
CN-119219738-A Alternaria sinica antihypertensive peptide as well as preparation method and application thereof 湘潭大学 2024-12-31 — — CN disclosed
CN-119219738-A Alternaria sinica antihypertensive peptide as well as preparation method and application thereof 湘潭大学 2024-12-31 — — CN disclosed
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