SCHEMBL29630362

SCHEMBL29630362

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.34
▸ GSTK1 Q9Y2Q3 1/20 0.34
▸ CCKAR P32238 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ OPRD1 P41143 6/20 0.32
▸ OPRM1 P35372 5/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ GLO1 Q04760 1/20 0.31

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
SCHEMBL29630506 0.94 PTGS1 (0.36) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL29590400 0.93 OPRD1 (0.35) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL30666352 0.91 OPRD1 (0.33) PTGS1GSTK1CCKARCCKBROPRD1
SCHEMBL34464905 0.89 PTGS1 (0.36) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL30627705 0.88 PTGS1 (0.35) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL29630845 0.88 PTGS1 (0.35) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL31109168 0.87 PTGS1 (0.34) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL30454917 0.86 PTGS1 (0.39) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL30441904 0.85 SLC15A2 (0.37) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL29590518 0.85 OPRD1 (0.36) PTGS1GSTK1OPRD1OPRM1OPRK1

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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