SCHEMBL24049263

SCHEMBL24049263

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 17/20 0.56
NPY1R P25929 10/20 0.56
NPY5R Q15761 8/20 0.56
NPY2R P49146 6/20 0.56
EGFR P00533 1/20 0.44

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
SCHEMBL29417935 0.95 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2REGFR
SCHEMBL24049264 0.95 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2REGFR
SCHEMBL25870078 0.94 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2REGFR
SCHEMBL25867984 0.93 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29630497 0.92 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31243265 0.91 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2REGFR
SCHEMBL29417932 0.91 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2REGFR
SCHEMBL30537469 0.91 EGFR (0.47) NPY4RNPY1RNPY5RNPY2REGFR
SCHEMBL29967116 0.91 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29967673 0.90 NPY4R (0.61) 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
WO-2021234483-A1 INHIBITORS OF CORONAVIRUS PROTEASE SUNSHINE BIOPHARMA INC. (US) 2021-11-25 WO disclosed