SCHEMBL30676228

SCHEMBL30676228

NC(=O)C[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.46
▸ MME P08473 1/20 0.44

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
SCHEMBL29860252 1.00 BACE1 (0.46) BACE1MME
SCHEMBL30788355 0.93 MME (0.43) BACE1MME
SCHEMBL1666817 0.93 MME (0.50) MME
SCHEMBL21794915 0.93 MME (0.50) MME
SCHEMBL1666819 0.93 MME (0.50) MME
SCHEMBL30466620 0.92 BACE1 (0.49) BACE1MME
SCHEMBL29577210 0.92 MME (0.47) MME
Water SCHEMBL29655496 0.92 MME (0.49) MME
SCHEMBL30192164 0.92 BACE1 (0.36) BACE1MME
SCHEMBL31259942 0.89 MME (0.47) MME

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
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
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