SCHEMBL29630382

SCHEMBL29630382

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.36
▸ CTSD P07339 1/20 0.36
▸ MME P08473 4/20 0.36
▸ LTA4H P09960 3/20 0.36
▸ GHSR Q92847 1/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ ECE1 P42892 1/20 0.34

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
SCHEMBL29630322 0.94 BACE1 (0.41) BACE1CTSD
SCHEMBL29591626 0.94 BACE1 (0.41) BACE1CTSD
SCHEMBL31474495 0.91 BACE1 (0.33) BACE1MMEECE1
SCHEMBL34470404 0.91 MME (0.36) MMELTA4HGHSRANPEP
SCHEMBL30799351 0.90 LTA4H (0.40) BACE1MMELTA4HANPEPECE1
SCHEMBL29590592 0.90 BACE1 (0.39) BACE1CTSD
SCHEMBL29421174 0.89 BACE1 (0.37) BACE1CTSD
SCHEMBL30294091 0.89 MME (0.35) BACE1MMELTA4HGHSRANPEP
SCHEMBL29630414 0.89 OPRD1 (0.36) MMELTA4HGHSRANPEP
SCHEMBL30781176 0.89 MME (0.35) BACE1MMELTA4HGHSRANPEP

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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