SCHEMBL31157716

SCHEMBL31157716

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.53
NPY4R P50391 14/20 0.52
NPY5R Q15761 8/20 0.52
NPY1R P25929 8/20 0.52
NPY2R P49146 5/20 0.52
KISS1R Q969F8 1/20 0.49
TFPI P10646 1/20 0.47

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
SCHEMBL30463243 1.00 SIRT5 (0.53) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL30463261 1.00 SIRT5 (0.53) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL30463258 0.96 SIRT5 (0.52) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL31157664 0.94 NPY4R (0.48) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL31157736 0.94 NPY4R (0.48) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL13166808 0.94 SIRT5 (0.59) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL30463273 0.94 SIRT5 (0.59) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL30168007 0.94 IL23R (0.49) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL30168005 0.94 IL23R (0.49) SIRT5NPY4RNPY5RNPY1RNPY2R
SCHEMBL31157763 0.92 NPY4R (0.53) SIRT5NPY4RNPY5RNPY1RNPY2R

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-3548510-B1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES LUBRIZOL ADVANCED MAT INC (US) 2024-10-02 EP disclosed