SCHEMBL21828646

SCHEMBL21828646

N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.56
▸ SLC7A5 Q01650 1/20 0.56
▸ NLN Q9BYT8 3/20 0.53
▸ LTA4H P09960 1/20 0.51
▸ REN P00797 1/20 0.51

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
SCHEMBL21828676 0.95 CYP3A4 (0.53) CYP3A4SLC7A5NLNREN
SCHEMBL29971925 0.95 CYP3A4 (0.53) CYP3A4SLC7A5NLNREN
Hydrochloric Acid SCHEMBL20335511 0.94 CYP3A4 (0.52) CYP3A4SLC7A5NLNREN
SCHEMBL30184773 0.91 AGTR2 (0.60) CYP3A4SLC7A5NLNLTA4HREN
SCHEMBL27826956 0.91 AGTR2 (0.60) CYP3A4SLC7A5NLNLTA4HREN
SCHEMBL21828671 0.88 CYP3A4 (0.68) CYP3A4SLC7A5NLN
SCHEMBL29971719 0.86 REN (0.60) CYP3A4SLC7A5NLNLTA4HREN
SCHEMBL28133942 0.86 REN (0.60) CYP3A4SLC7A5NLNLTA4HREN
SCHEMBL29380221 0.86 CYP3A4 (0.65) CYP3A4SLC7A5REN
SCHEMBL13563455 0.84 REN (0.67) REN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183287-A2 COMPOSITE BIOACTIVE COMPOSITIONS AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-09-28 — — WO claimed
CN-114164134-B Bifidobacterium longum subspecies longum with functions of preventing and relieving colitis symptoms and application thereof 东北农业大学 2023-03-03 — — CN disclosed
CN-114164134-A Bifidobacterium longum subspecies longum with functions of preventing and relieving colitis symptoms and application thereof 东北农业大学 2022-03-11 — — CN disclosed
WO-2020071258-A1 PROTEIN GLYCATION SUPPRESSANT 味の素株式会社 2020-04-09 — — WO disclosed
CN-101951935-A Therapeutic agent for cerebral ischemic disorder OTSUKA PHARMA CO LTD 2011-01-19 — — CN disclosed
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