SCHEMBL29447737

SCHEMBL29447737

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.36
▸ BACE1 P56817 2/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ ECE1 P42892 1/20 0.31

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
SCHEMBL29376470 0.99 MME (0.36) MMEBACE1
SCHEMBL30390019 0.96 MME (0.39) MMEBACE1TGFBR1ECE1
SCHEMBL31474495 0.94 BACE1 (0.33) MMEBACE1ECE1
SCHEMBL29383357 0.94 ECE1 (0.34) MMEECE1
SCHEMBL29630501 0.94 BACE1 (0.34) MMEBACE1ECE1
SCHEMBL29590592 0.93 BACE1 (0.39) BACE1
SCHEMBL30666390 0.92 MME (0.37) MMEBACE1
SCHEMBL30209180 0.91 PDCD1LG2 (0.36) MMEBACE1ECE1
SCHEMBL31073533 0.91 PDCD1LG2 (0.39) MMEBACE1ECE1
SCHEMBL29913867 0.91 ECE1 (0.36) MMEBACE1ECE1

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-114127317-A Method of diagnosing disease 4D制药科克有限公司 2022-03-01 — — CN disclosed
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