SCHEMBL31437207

SCHEMBL31437207

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.43
▸ NMUR2 Q9GZQ4 4/20 0.40
▸ NMUR1 Q9HB89 4/20 0.40
▸ REN P00797 3/20 0.40
▸ ACE P12821 3/20 0.40
▸ EPHA2 P29317 2/20 0.40
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ MC4R P32245 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
SCHEMBL29630805 0.94 BDKRB2 (0.41) CXCR4NMUR2NMUR1RENACE
SCHEMBL31303209 0.94 CXCR4 (0.43) CXCR4NMUR2NMUR1EPHA2OPRM1
SCHEMBL30866232 0.92 ACE (0.44) CXCR4RENACEEPHA2OPRM1
SCHEMBL31303212 0.91 CXCR4 (0.50) CXCR4NMUR2NMUR1MC4R
SCHEMBL31437157 0.90 KEAP1 (0.43) CXCR4NMUR2NMUR1RENACE
SCHEMBL29597171 0.90 CXCR4 (0.46) CXCR4NMUR2NMUR1EPHA2OPRM1
SCHEMBL8628213 0.88 CXCR4 (0.46) CXCR4NMUR2NMUR1EPHA2OPRM1
SCHEMBL30688240 0.88 NMUR2 (0.41) CXCR4NMUR2NMUR1RENACE
SCHEMBL30104718 0.86 CXCR4 (0.46) CXCR4NMUR2NMUR1EPHA2OPRM1
SCHEMBL31437194 0.86 ACE (0.42) CXCR4RENACEEPHA2OPRM1

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-2025037992-A1 NEW PEPTIDES AND USE THEREOF MAJEWSKI FILIP (PL) 2025-02-20 — — WO disclosed
WO-2025037993-A1 DOSAGE FORM FOR PEPTIDE AGENTS MAJEWSKI FILIP (PL) 2025-02-20 — — WO disclosed
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