SCHEMBL29630643

SCHEMBL29630643

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ BACE1 P56817 13/20 0.50
▸ BACE2 Q9Y5Z0 2/20 0.48
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ CTSD P07339 2/20 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
SCHEMBL29590401 0.94 BACE1 (0.51) OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL10601764 0.93 OPRD1 (0.52) OPRM1OPRD1OPRK1NAALAD2
SCHEMBL30987807 0.91 BACE1 (0.53) OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30193015 0.91 BACE1 (0.53) OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL31134839 0.90 BACE1 (0.57) BACE1BACE2NAALAD2CTSD
SCHEMBL29470277 0.90 BACE1 (0.55) OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30880911 0.89 NAALAD2 (0.57) OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL29455241 0.89 OPRD1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL3772408 0.89 NAALAD2 (0.59) OPRM1OPRD1OPRK1NAALAD2
SCHEMBL29349961 0.89 NAALAD2 (0.59) OPRM1OPRD1OPRK1NAALAD2

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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