SCHEMBL30958913

SCHEMBL30958913

NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.54
▸ CTSD P07339 2/20 0.50
▸ KISS1R Q969F8 1/20 0.46
▸ NAALAD2 Q9Y3Q0 1/20 0.46
▸ BACE2 Q9Y5Z0 2/20 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
SCHEMBL29603169 0.94 NAALAD2 (0.51) BACE1NAALAD2BACE2
SCHEMBL30918343 0.88 BACE1 (0.46) BACE1CTSDKISS1R
SCHEMBL30724704 0.88 GPR132 (0.48) —
SCHEMBL30724708 0.87 BACE1 (0.45) BACE1CTSDKISS1R
SCHEMBL30974353 0.86 BACE1 (0.68) BACE1CTSDNAALAD2BACE2
SCHEMBL29375944 0.85 NAALAD2 (0.51) NAALAD2
SCHEMBL29592259 0.85 BACE1 (0.61) BACE1CTSDNAALAD2BACE2
SCHEMBL4198783 0.83 GPR132 (0.52) —
SCHEMBL29695561 0.83 BACE1 (0.65) BACE1CTSDNAALAD2BACE2
SCHEMBL31754274 0.81 FOLH1 (0.48) —

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
EP-4622991-A2 SYNTHESIS OF A CYCLIC PEPTIDE Janssen Pharmaceutica NV (BE) 2025-10-01 — — EP disclosed
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