SCHEMBL29901165

SCHEMBL29901165

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.54
NPY1R P25929 9/20 0.54
NPY5R Q15761 8/20 0.54
NPY2R P49146 5/20 0.54
KISS1R Q969F8 4/20 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
SCHEMBL31276953 0.94 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29901204 0.94 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29679862 0.92 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31753635 0.91 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30382493 0.91 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29883992 0.91 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30594900 0.91 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30544331 0.91 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30007747 0.91 BACE1 (0.50) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31097704 0.90 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R

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-4079749-A1 PEPTIDE INHIBITING ACTIVITY OF ARYL HYDROCARBON RECEPTOR AND COSMETIC COMPOSITION USING SAME Supadelixir Inc. (KR) 2022-10-26 EP disclosed