SCHEMBL31267109

SCHEMBL31267109

CC(C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN)C(=O)NCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.54
▸ KDM1A O60341 3/20 0.50
▸ MAOB P27338 1/20 0.48
▸ KDM5A P29375 1/20 0.48
▸ KDM1B Q8NB78 1/20 0.48
▸ C5AR1 P21730 1/20 0.48
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ NMUR1 Q9HB89 1/20 0.48
▸ CALCRL Q16602 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ NPY5R Q15761 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
SCHEMBL31267098 0.95 EPHA2 (0.53) EPHA2KDM1ANMUR2NMUR1CALCRL
SCHEMBL31267105 0.89 EPHA2 (0.55) EPHA2C5AR1NMUR2NMUR1CALCRL
SCHEMBL31267116 0.88 NMUR2 (0.57) EPHA2C5AR1NMUR2NMUR1
SCHEMBL31267114 0.88 NMUR2 (0.57) EPHA2C5AR1NMUR2NMUR1
SCHEMBL31267133 0.88 NMUR2 (0.58) EPHA2C5AR1NMUR2NMUR1
SCHEMBL31267100 0.88 NMUR2 (0.57) EPHA2C5AR1NMUR2NMUR1
SCHEMBL31267115 0.88 NMUR2 (0.57) EPHA2C5AR1NMUR2NMUR1
SCHEMBL31267123 0.88 NMUR2 (0.57) EPHA2C5AR1NMUR2NMUR1
SCHEMBL31267144 0.86 NMUR2 (0.60) EPHA2NMUR2NMUR1
SCHEMBL30483833 0.85 OPRD1 (0.52) EPHA2KDM1AC5AR1CALCRL

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
CN-119143843-B CXCR4 targeting polypeptide and preparation method and application thereof 中国药科大学 2025-02-25 — — CN disclosed
CN-119143843-A CXCR4 targeting polypeptide and preparation method and application thereof 中国药科大学 2024-12-17 — — CN disclosed
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