SCHEMBL23802493

SCHEMBL23802493

CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.45
▸ GNPAT O15228 1/20 0.44
▸ NPY4R P50391 16/20 0.41
▸ NPY1R P25929 10/20 0.41
▸ NPY5R Q15761 9/20 0.41
▸ NPY2R P49146 6/20 0.41

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
SCHEMBL31287945 0.89 GNPAT (0.50) SIRT5GNPATNPY4RNPY1RNPY5R
SCHEMBL25098291 0.88 NPY4R (0.40) SIRT5GNPATNPY4RNPY1RNPY5R
SCHEMBL23258921 0.85 SIRT5 (0.55) SIRT5GNPATNPY4RNPY1RNPY5R
SCHEMBL8500280 0.85 NPY4R (0.37) SIRT5GNPATNPY4RNPY1RNPY5R
SCHEMBL13410388 0.85 NPY4R (0.37) SIRT5GNPATNPY4RNPY1RNPY5R
SCHEMBL15698292 0.85 SIRT5 (0.45) SIRT5NPY4RNPY1RNPY5RNPY2R
SCHEMBL23104857 0.84 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL21933744 0.84 NPY4R (0.39) SIRT5GNPATNPY4RNPY1RNPY5R
SCHEMBL15145773 0.83 NPY4R (0.47) SIRT5GNPATNPY4RNPY1RNPY5R
SCHEMBL25098831 0.83 NPY4R (0.37) SIRT5GNPATNPY4RNPY1RNPY5R

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
WO-2021178887-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR MODIFYING CAR-T CELL ACTIVITY PURDUE RESEARCH FOUNDATION (US) 2021-09-10 — — WO disclosed
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