SCHEMBL29630518

SCHEMBL29630518

N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 16/20 0.37
▸ OPRM1 P35372 13/20 0.37
▸ OPRK1 P41145 4/20 0.36
▸ SLC15A2 Q16348 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ GSTK1 Q9Y2Q3 1/20 0.32

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
SCHEMBL29630465 0.97 OPRD1 (0.38) OPRD1OPRM1OPRK1
SCHEMBL29630685 0.96 OPRD1 (0.38) OPRD1OPRM1OPRK1SLC15A2
SCHEMBL30872895 0.94 PTGS1 (0.41) OPRD1OPRM1OPRK1PTGS1GSTK1
SCHEMBL29649733 0.91 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL30272502 0.90 MME (0.34) SLC15A2
SCHEMBL29630312 0.90 MME (0.34) SLC15A2
SCHEMBL2132240 0.90 MME (0.36) —
SCHEMBL30559586 0.90 MME (0.36) —
SCHEMBL2132230 0.90 MME (0.36) —
SCHEMBL30504749 0.89 OPRM1 (0.36) OPRD1OPRM1OPRK1

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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