SCHEMBL4076396

SCHEMBL4076396

CCCOC(=O)N(c1ccc(CC(OCC)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N)cc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.41
PPARA Q07869 5/20 0.41
NPY4R P50391 9/20 0.34
NPY1R P25929 6/20 0.34
NPY2R P49146 4/20 0.33
NPY5R Q15761 4/20 0.33
PPARD Q03181 1/20 0.30

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
SCHEMBL4081916 0.84 PPARG (0.44) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL4073286 0.83 PPARG (0.44) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL4085908 0.82 PPARG (0.44) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL4073437 0.80 PPARA (0.53) PPARGPPARAPPARD
SCHEMBL4076714 0.78 PPARG (0.40) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL4073315 0.77 MTNR1A (0.38) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL5662321 0.75 MTNR1A (0.37) PPARGPPARANPY4RNPY1RNPY2R
Arginine SCHEMBL4081910 0.74 PPARG (0.51) PPARGPPARAPPARD
Arginine SCHEMBL4081908 0.74 PPARG (0.51) PPARGPPARAPPARD
Arginine SCHEMBL4085902 0.73 PPARA (0.51) PPARGPPARAPPARD

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
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US claimed