SCHEMBL29851081

SCHEMBL29851081

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.51
▸ OPRM1 P35372 9/20 0.51
▸ OPRK1 P41145 3/20 0.51
▸ BACE1 P56817 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP7 P09237 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ MMP13 P45452 1/20 0.46

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
SCHEMBL29851157 0.90 OPRD1 (0.59) OPRD1OPRM1OPRK1CTSB
SCHEMBL29657465 0.89 BACE1 (0.56) BACE1MMP2MMP7MMP9MMP12
SCHEMBL29851348 0.88 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL30054207 0.87 BACE1 (0.51) OPRD1OPRM1BACE1
SCHEMBL31462155 0.84 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL31257076 0.84 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL30799534 0.84 BACE1 (0.62) BACE1
SCHEMBL30198948 0.84 OPRD1 (0.60) OPRD1OPRM1OPRK1CTSBMMP2
SCHEMBL30880912 0.83 CTSB (0.52) OPRD1OPRM1OPRK1CTSBMMP2
SCHEMBL31215095 0.83 OPRD1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115044652-A Nucleic acid detection kit based on CRISPR/Cas12a system and up-conversion luminescent particle immunochromatography and application 中国人民解放军军事科学院军事医学研究院 2022-09-13 — — CN disclosed
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