SCHEMBL29630627

SCHEMBL29630627

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.49
▸ REN P00797 3/20 0.49
▸ XIAP P98170 1/20 0.44
▸ ENPEP Q07075 5/20 0.43
▸ CTSD P07339 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ NPY4R P50391 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ NTSR1 P30989 6/20 0.42
▸ NTSR2 O95665 5/20 0.42
▸ SORT1 Q99523 3/20 0.42

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
SCHEMBL29590352 0.94 BACE1 (0.46) ACERENCTSDBACE1NPY1R
SCHEMBL31316151 0.90 F2R (0.43) ACERENXIAPENPEPCTSD
SCHEMBL32672659 0.89 XIAP (0.50) ACERENXIAPNPY1RNPY2R
SCHEMBL30435414 0.87 ACE (0.51) ACERENCTSDBACE1
SCHEMBL30435255 0.87 ACE (0.51) ACERENCTSDBACE1
SCHEMBL29823571 0.87 XIAP (0.47) ACERENXIAPENPEPNPY1R
SCHEMBL29839435 0.86 ACE (0.44) ACERENXIAPENPEPCTSD
SCHEMBL29873831 0.85 XIAP (0.51) XIAPENPEPCTSDBACE1NTSR1
SCHEMBL1323636 0.84 ACE (0.56) ACEREN
SCHEMBL12120319 0.84 ACE (0.56) ACEREN

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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