SCHEMBL31437157

SCHEMBL31437157

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.43
▸ CXCR4 P61073 4/20 0.42
▸ EPHA2 P29317 2/20 0.41
▸ NMUR2 Q9GZQ4 4/20 0.41
▸ NMUR1 Q9HB89 4/20 0.41
▸ MC4R P32245 1/20 0.41
▸ ACE P12821 2/20 0.40
▸ REN P00797 1/20 0.40
▸ RAMP3 O60896 3/20 0.40
▸ CALCR P30988 3/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40

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 0.90 CXCR4 (0.43) CXCR4EPHA2NMUR2NMUR1MC4R
SCHEMBL29630805 0.89 BDKRB2 (0.41) CXCR4NMUR2NMUR1ACEREN
SCHEMBL8628213 0.89 CXCR4 (0.46) KEAP1CXCR4EPHA2NMUR2NMUR1
SCHEMBL29880164 0.88 RAMP3 (0.49) NMUR2NMUR1RAMP3CALCROPRM1
SCHEMBL30104732 0.88 CXCR4 (0.45) CXCR4EPHA2NMUR2NMUR1RAMP3
SCHEMBL31303212 0.88 CXCR4 (0.50) KEAP1CXCR4NMUR2NMUR1MC4R
SCHEMBL31437212 0.87 RAMP3 (0.50) CXCR4EPHA2NMUR2NMUR1RAMP3
SCHEMBL30866232 0.87 ACE (0.44) CXCR4EPHA2ACERENOPRM1
SCHEMBL29597171 0.87 CXCR4 (0.46) KEAP1CXCR4EPHA2NMUR2NMUR1
SCHEMBL30688240 0.87 NMUR2 (0.41) KEAP1CXCR4EPHA2NMUR2NMUR1

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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