SCHEMBL29630677

SCHEMBL29630677

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.53
▸ OPRM1 P35372 6/20 0.53
▸ OPRK1 P41145 3/20 0.53
▸ MME P08473 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CCKAR P32238 3/20 0.46
▸ CCKBR P32239 3/20 0.46
▸ BACE1 P56817 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
SCHEMBL29590561 0.96 OPRD1 (0.50) OPRD1OPRM1OPRK1MME
SCHEMBL29590434 0.94 OPRD1 (0.50) OPRD1OPRM1OPRK1MME
SCHEMBL29455241 0.92 OPRD1 (0.55) OPRD1OPRM1OPRK1MMECCKAR
SCHEMBL31438258 0.90 OPRD1 (0.56) OPRD1OPRM1OPRK1MMECCKAR
SCHEMBL30139893 0.90 MME (0.57) MMEALDH1A1RAB9ABACE1
SCHEMBL30436782 0.89 OPRD1 (0.57) OPRD1OPRM1OPRK1MMECCKAR
SCHEMBL29630599 0.89 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL29679587 0.88 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL30153107 0.87 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL29630409 0.87 OPRD1 (0.53) OPRD1OPRM1OPRK1MME

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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