SCHEMBL31497331

SCHEMBL31497331

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.67
▸ BACE2 Q9Y5Z0 4/20 0.67
▸ TFPI P10646 1/20 0.59
▸ CTSD P07339 1/20 0.57
▸ KISS1R Q969F8 3/20 0.54
▸ KEAP1 Q14145 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
SCHEMBL31497383 0.99 BACE1 (0.65) BACE1BACE2TFPICTSDKISS1R
SCHEMBL31497356 0.99 BACE1 (0.65) BACE1BACE2TFPICTSDKISS1R
SCHEMBL31497390 0.94 BACE1 (0.60) BACE1BACE2TFPICTSDKISS1R
SCHEMBL31497394 0.93 BACE1 (0.58) BACE1BACE2TFPICTSD
SCHEMBL31497343 0.91 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL31497332 0.91 BACE1 (0.55) BACE1BACE2TFPICTSDKISS1R
SCHEMBL31497353 0.90 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL8973360 0.89 TFPI (0.64) BACE1BACE2TFPIKISS1RKEAP1
SCHEMBL8973366 0.89 TFPI (0.64) BACE1BACE2TFPIKISS1RKEAP1
SCHEMBL30433044 0.85 BACE1 (0.66) 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
EP-4545551-A1 PEPTIDE INHIBITOR AND USE THEREOF Chengdu Brilliant Inspiration Biotherapeutics Co., Ltd (CN) 2025-04-30 — — EP disclosed
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