SCHEMBL30638816

SCHEMBL30638816

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.35
▸ F2 P00734 4/20 0.35
▸ BACE1 P56817 3/20 0.34
▸ CA2 P00918 2/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ BMP1 P13497 1/20 0.33
▸ KISS1R Q969F8 1/20 0.33

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
SCHEMBL30390019 0.94 MME (0.39) MMEBACE1CA2ECE1CA1
SCHEMBL29376470 0.91 MME (0.36) MMEBACE1
SCHEMBL29447737 0.90 MME (0.36) MMEBACE1ECE1
SCHEMBL29630656 0.89 DPP4 (0.35) MMEF2BACE1ECE1
SCHEMBL31482979 0.89 MME (0.38) MMEBACE1CA2ECE1CA1
SCHEMBL29590459 0.89 MME (0.38) MMEBACE1CA2ECE1CA1
SCHEMBL30513616 0.89 MME (0.38) MMEBACE1CA2ECE1CA1
SCHEMBL29630577 0.89 MME (0.38) MMEBACE1CA2ECE1CA1
SCHEMBL29630607 0.89 MME (0.38) MMEBACE1CA2ECE1CA1
SCHEMBL31474495 0.89 BACE1 (0.33) 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
EP-3371212-B1 PEPTIDES AND METHOD FOR TREATMENT OF CARDIAC ARREST UNIV ILLINOIS (US) 2023-10-11 — — EP disclosed
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