SCHEMBL31243864

SCHEMBL31243864

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.52
▸ CTSD P07339 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ BACE2 Q9Y5Z0 2/20 0.49
▸ CTSB P07858 1/20 0.47

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
SCHEMBL29904058 0.90 OPRD1 (0.51) BACE1CTSDCTSB
SCHEMBL29466039 0.89 NAALAD2 (0.53) —
SCHEMBL30051579 0.89 MME (0.55) —
SCHEMBL29914576 0.86 TFPI (0.50) BACE1CTSDCTSB
SCHEMBL2520136 0.86 CTSD (0.59) BACE1CTSDSMN1; SMN2CTSB
SCHEMBL2520131 0.86 CTSD (0.59) BACE1CTSDSMN1; SMN2CTSB
SCHEMBL29904036 0.85 TFPI (0.51) BACE1CTSDCTSB
SCHEMBL31041717 0.84 BACE1 (0.53) BACE1CTSDSMN1; SMN2BACE2
SCHEMBL30567794 0.84 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL29351596 0.83 NOD1 (0.42) BACE1CTSD

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-120202191-A Inhibitors of prostate specific membrane antigen and uses thereof 上海先通生物科技有限公司 2025-06-24 — — CN disclosed
CN-119072472-A FAP inhibitors 上海先通生物科技有限公司 2024-12-03 — — CN disclosed
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