SCHEMBL29630512

SCHEMBL29630512

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.50
▸ BACE2 Q9Y5Z0 4/20 0.50
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ ENPEP Q07075 3/20 0.47
▸ FNTA P49354 3/20 0.46
▸ FNTB P49356 3/20 0.46
▸ CTSD P07339 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
SCHEMBL29591302 0.92 BACE1 (0.51) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL29558363 0.92 ENPEP (0.52) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL29567955 0.90 OPRD1 (0.49) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL30445821 0.89 FNTA (0.56) BACE1BACE2OPRD1FNTAFNTB
SCHEMBL29567343 0.89 NPY1R (0.50) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL30311095 0.88 ENPEP (0.57) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL30398992 0.87 FNTA (0.59) NPY1RNPY2RNPY4RFNTAFNTB
SCHEMBL31039957 0.86 FNTA (0.52) OPRD1FNTAFNTB
SCHEMBL29464215 0.86 NAALAD2 (0.57) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL7609991 0.86 NPY1R (0.53) NPY1RNPY2RNPY4RFNTAFNTB

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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