SCHEMBL29630501

SCHEMBL29630501

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.34
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ MME P08473 2/20 0.33
▸ KISS1R Q969F8 9/20 0.33
▸ ECE1 P42892 2/20 0.32

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
SCHEMBL29913867 0.96 ECE1 (0.36) BACE1PDCD1LG2CD274MMEKISS1R
SCHEMBL30192164 0.96 BACE1 (0.36) BACE1MMEECE1
SCHEMBL29447737 0.94 MME (0.36) BACE1MMEECE1
SCHEMBL31073533 0.94 PDCD1LG2 (0.39) BACE1PDCD1LG2CD274MMEECE1
SCHEMBL29560167 0.93 MME (0.36) MME
SCHEMBL29376470 0.93 MME (0.36) BACE1MME
SCHEMBL30209180 0.92 PDCD1LG2 (0.36) BACE1PDCD1LG2CD274MMEECE1
SCHEMBL29851664 0.91 MME (0.38) BACE1MMEECE1
SCHEMBL29373629 0.90 ECE1 (0.39) BACE1MMEECE1
SCHEMBL31707374 0.89 MME (0.38) BACE1MMEECE1

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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