SCHEMBL29851348

SCHEMBL29851348

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.53
▸ OPRM1 P35372 6/20 0.53
▸ OPRK1 P41145 3/20 0.53
▸ ACE P12821 3/20 0.49
▸ MME P08473 1/20 0.49
▸ ECE1 P42892 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
SCHEMBL29630644 0.91 OPRD1 (0.54) OPRD1OPRM1OPRK1MME
SCHEMBL30341726 0.90 OPRD1 (0.56) OPRD1OPRM1OPRK1ACEMME
SCHEMBL29789590 0.90 OPRD1 (0.63) OPRD1OPRM1OPRK1MME
SCHEMBL29630409 0.89 OPRD1 (0.53) OPRD1OPRM1OPRK1MME
SCHEMBL30198948 0.88 OPRD1 (0.60) OPRD1OPRM1OPRK1ACE
SCHEMBL29851081 0.88 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL10601764 0.88 OPRD1 (0.52) OPRD1OPRM1OPRK1ACEMME
SCHEMBL3227106 0.87 OPRD1 (0.60) OPRD1OPRM1OPRK1MME
SCHEMBL3227119 0.87 OPRD1 (0.60) OPRD1OPRM1OPRK1MME
SCHEMBL29413783 0.87 OPRD1 (0.55) OPRD1OPRM1OPRK1ACEMME

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-20240117402-A1 METHODS FOR (POLY) PEPTIDE TANDEM LIGATION AND CYCLIZATION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-04-11 — — US disclosed
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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