SCHEMBL31412205

SCHEMBL31412205

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.60
▸ BACE2 Q9Y5Z0 1/20 0.58
▸ KISS1R Q969F8 10/20 0.57
▸ CTSD P07339 1/20 0.56

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
SCHEMBL31412200 0.98 BACE1 (0.59) BACE1BACE2KISS1RCTSD
SCHEMBL31472579 0.94 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL31243887 0.89 OPRD1 (0.53) BACE1BACE2KISS1RCTSD
SCHEMBL31472560 0.89 NPY4R (0.57) BACE1BACE2CTSD
SCHEMBL29489423 0.88 NPY1R (0.51) BACE1BACE2KISS1RCTSD
SCHEMBL31243883 0.87 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL29520890 0.87 BACE1 (0.57) BACE1BACE2KISS1RCTSD
SCHEMBL29798264 0.87 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL30974311 0.86 KISS1R (0.58) BACE1KISS1R
SCHEMBL29798176 0.85 BACE1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390779-A Antibacterial cyclic peptide and application thereof 浙江大学 2025-02-07 — — CN disclosed
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