SCHEMBL31484252

SCHEMBL31484252

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.53
▸ FOLH1 Q04609 3/20 0.52
▸ CTSD P07339 4/20 0.50
▸ BACE2 Q9Y5Z0 2/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 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
SCHEMBL29616369 0.96 BACE1 (0.50) BACE1FOLH1CTSDBACE2GRIN2D
SCHEMBL30834756 0.95 FOLH1 (0.51) BACE1FOLH1CTSDBACE2NPY1R
SCHEMBL29679678 0.95 FOLH1 (0.53) BACE1FOLH1CTSDBACE2NPY1R
SCHEMBL29679867 0.95 FOLH1 (0.53) BACE1FOLH1CTSDBACE2NPY1R
SCHEMBL31097730 0.94 FOLH1 (0.58) BACE1FOLH1CTSDBACE2NPY1R
SCHEMBL31097663 0.94 FOLH1 (0.58) BACE1FOLH1CTSDBACE2NPY1R
SCHEMBL31097742 0.94 FOLH1 (0.58) BACE1FOLH1CTSDBACE2NPY1R
SCHEMBL31097692 0.94 FOLH1 (0.58) BACE1FOLH1CTSDBACE2NPY1R
SCHEMBL31097709 0.94 FOLH1 (0.58) BACE1FOLH1CTSDBACE2NPY1R
SCHEMBL30974042 0.93 FOLH1 (0.56) BACE1FOLH1CTSDBACE2NPY1R

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-119751572-A Elm Huang Gutai, and preparation and application thereof 昆明理工大学 2025-04-04 — — CN disclosed
CN-119751572-A Elm Huang Gutai, and preparation and application thereof 昆明理工大学 2025-04-04 — — CN disclosed
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