SCHEMBL29832294

SCHEMBL29832294

CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.66
▸ BACE2 Q9Y5Z0 5/20 0.66
▸ CTSD P07339 2/20 0.60
▸ OPRM1 P35372 1/20 0.59
▸ OPRD1 P41143 1/20 0.59
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ IL1RN P18510 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.54

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
SCHEMBL29895758 0.92 NPY4R (0.65) BACE1BACE2CTSDOPRM1OPRD1
SCHEMBL29531717 0.92 BACE1 (0.56) BACE1BACE2CTSDOPRM1OPRD1
SCHEMBL29818222 0.90 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL30659062 0.88 BACE1 (0.75) BACE1BACE2CTSD
SCHEMBL30844216 0.88 NPY4R (0.67) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL2184730 0.88 NPY4R (0.64) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL34471860 0.88 BACE1 (0.67) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL29425531 0.87 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL30725665 0.87 BACE1 (0.54) BACE1BACE2OPRM1OPRD1
SCHEMBL30799520 0.86 BACE1 (0.61) BACE1BACE2CTSD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112794879-B Synthesis and application of Glu-Leu-Phe-Tyr-Val pentapeptide 首都医科大学 2022-09-02 — — CN claimed
CN-112812152-B Synthesis and anti-inflammatory application of Glu-Leu-Phe-Tyr-Val pentapeptide 首都医科大学 2022-09-02 — — CN claimed
CN-112794879-B Synthesis and application of Glu-Leu-Phe-Tyr-Val pentapeptide 首都医科大学 2022-09-02 — — CN disclosed
CN-112794879-B Synthesis and application of Glu-Leu-Phe-Tyr-Val pentapeptide 首都医科大学 2022-09-02 — — CN disclosed
CN-112794879-B Synthesis and application of Glu-Leu-Phe-Tyr-Val pentapeptide 首都医科大学 2022-09-02 — — CN disclosed
CN-112812152-B Synthesis and anti-inflammatory application of Glu-Leu-Phe-Tyr-Val pentapeptide 首都医科大学 2022-09-02 — — CN disclosed
CN-112812152-B Synthesis and anti-inflammatory application of Glu-Leu-Phe-Tyr-Val pentapeptide 首都医科大学 2022-09-02 — — CN disclosed
CN-112812152-B Synthesis and anti-inflammatory application of Glu-Leu-Phe-Tyr-Val pentapeptide 首都医科大学 2022-09-02 — — CN disclosed
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