SCHEMBL29630619

SCHEMBL29630619

C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 2/20 0.61
▸ BACE1 P56817 3/20 0.52
▸ BACE2 Q9Y5Z0 2/20 0.52
▸ ENPEP Q07075 5/20 0.51
▸ IL1RN P18510 1/20 0.49
▸ ERAP2 Q6P179 1/20 0.49
▸ OPRD1 P41143 5/20 0.48
▸ OPRM1 P35372 4/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ MME P08473 1/20 0.48
▸ ACE P12821 1/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL30512709 0.92 NAALAD2 (0.53) NAALAD2BACE1BACE2ENPEPIL1RN
SCHEMBL31615028 0.92 NAALAD2 (0.65) NAALAD2ENPEPIL1RNERAP2MME
SCHEMBL31610861 0.91 NAALAD2 (0.67) NAALAD2ENPEPIL1RNERAP2MME
SCHEMBL2549533 0.88 MME (0.60) OPRD1OPRM1OPRK1MMEACE
SCHEMBL30445690 0.88 MME (0.60) OPRD1OPRM1OPRK1MMEACE
SCHEMBL31188457 0.87 NPY1R (0.52) ENPEPERAP2OPRD1OPRM1OPRK1
SCHEMBL29634263 0.86 NAALAD2 (0.60) NAALAD2BACE1BACE2OPRD1OPRM1
SCHEMBL29630662 0.86 NAALAD2 (0.58) NAALAD2ENPEPOPRD1OPRM1OPRK1
SCHEMBL31199016 0.86 NAALAD2 (0.65) NAALAD2BACE1MMEACECPA1
SCHEMBL30483948 0.86 BACE1 (0.55) BACE1BACE2ENPEPOPRD1OPRM1

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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