SCHEMBL30505408

SCHEMBL30505408

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.54
▸ BACE2 Q9Y5Z0 5/20 0.54
▸ CTSD P07339 2/20 0.48
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ IL1RN P18510 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ CASP1 P29466 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP9 P55211 1/20 0.45

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
SCHEMBL31738233 0.88 IL1RN (0.45) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL31513110 0.88 NPY1R (0.52) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL29416052 0.87 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL5699005 0.87 BACE1 (0.49) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL5699001 0.87 BACE1 (0.49) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL30536319 0.87 F2 (0.46) BACE1
SCHEMBL7163139 0.87 BACE1 (0.42) BACE1BACE2CTSDIL1RNERAP2
SCHEMBL7163147 0.87 BACE1 (0.42) BACE1BACE2CTSDIL1RNERAP2
SCHEMBL30445172 0.86 BACE1 (0.47) BACE1BACE2CTSDCASP1CASP3
SCHEMBL31020880 0.86 NPY1R (0.49) BACE1BACE2NPY1RNPY2RNPY4R

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-114195857-B Antihypertensive peptide and preparation method and application thereof 中国科学院海洋研究所 2023-07-04 — — CN claimed
CN-114195857-B Antihypertensive peptide and preparation method and application thereof 中国科学院海洋研究所 2023-07-04 — — CN disclosed
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