SCHEMBL29630644

SCHEMBL29630644

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 0.54
▸ OPRM1 P35372 10/20 0.54
▸ OPRK1 P41145 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MME P08473 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
SCHEMBL29851348 0.91 OPRD1 (0.53) OPRD1OPRM1OPRK1MME
SCHEMBL30198948 0.88 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL31031476 0.88 BACE1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL29590571 0.87 OPRD1 (0.50) OPRD1OPRM1OPRK1ALDH1A1MME
SCHEMBL30834728 0.87 MME (0.52) OPRD1OPRM1OPRK1ALDH1A1MME
SCHEMBL29591605 0.87 OPRD1 (0.51) OPRD1OPRM1OPRK1ALDH1A1RAB9A
SCHEMBL29531706 0.86 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL11569654 0.85 MME (0.57) MME
SCHEMBL11569661 0.85 MME (0.57) MME
SCHEMBL1487366 0.85 ECE1 (0.46) OPRD1OPRM1OPRK1ALDH1A1RAB9A

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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