SCHEMBL31267118

SCHEMBL31267118

NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.54
▸ ITGA5 P08648 2/20 0.54
▸ SLC6A2 P23975 1/20 0.51
▸ OPRM1 P35372 5/20 0.50
▸ ACE P12821 1/20 0.49
▸ OPRD1 P41143 3/20 0.48

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
SCHEMBL30862234 0.91 SLC6A2 (0.54) ITGB1ITGA5SLC6A2OPRM1ACE
SCHEMBL29794261 0.88 OPRM1 (0.61) SLC6A2OPRM1OPRD1
SCHEMBL30637644 0.88 OPRM1 (0.61) SLC6A2OPRM1OPRD1
SCHEMBL30110409 0.87 OPRM1 (0.49) ITGB1ITGA5SLC6A2OPRM1ACE
SCHEMBL9053553 0.86 SLC6A2 (0.63) SLC6A2OPRM1OPRD1
SCHEMBL9052421 0.86 SLC6A2 (0.63) SLC6A2OPRM1OPRD1
SCHEMBL29630642 0.83 OPRM1 (0.49) SLC6A2OPRM1ACEOPRD1
SCHEMBL31059337 0.83 SLC6A2 (0.59) ITGB1SLC6A2OPRM1ACEOPRD1
SCHEMBL30915205 0.83 SLC6A2 (0.54) SLC6A2OPRM1
SCHEMBL30776088 0.83 SLC6A2 (0.60) ITGB1ITGA5SLC6A2OPRM1

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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