SCHEMBL29655487

SCHEMBL29655487

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.54
▸ OPRM1 P35372 2/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ CTSD P07339 3/20 0.47
▸ CTSB P07858 1/20 0.47
▸ BACE2 Q9Y5Z0 2/20 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
SCHEMBL30728889 0.92 MME (0.50) BACE1
SCHEMBL29531754 0.92 MME (0.50) BACE1
SCHEMBL29798218 0.89 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL31510665 0.88 BACE1 (0.52) BACE1BACE2
SCHEMBL30799848 0.88 OPRM1 (0.54) OPRM1OPRD1
SCHEMBL31063872 0.88 OPRD1 (0.44) BACE1OPRM1OPRD1CTSD
SCHEMBL29531463 0.88 OPRD1 (0.46) BACE1OPRM1OPRD1
SCHEMBL30843955 0.88 OPRD1 (0.46) BACE1OPRM1OPRD1
SCHEMBL9617697 0.88 LTA4H (0.55) OPRM1OPRD1
SCHEMBL30517753 0.88 LTA4H (0.53) —

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
CN-115212289-A Probiotic active peptide composition and application thereof 上海朗泰凯尔生物技术有限公司 2022-10-21 — — CN disclosed
CN-114621319-A Probiotic active peptide, active peptide composition and application thereof in preparation of products with anti-inflammatory and/or antioxidant effects 深圳科兴药业有限公司 2022-06-14 — — CN disclosed
Send feedback