SCHEMBL9068939

SCHEMBL9068939

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.43
NPY1R P25929 9/20 0.43
NPY5R Q15761 8/20 0.43
NPY2R P49146 5/20 0.39
MME P08473 2/20 0.36
FCER2 P06734 1/20 0.35
FOLH1 Q04609 2/20 0.35

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
SCHEMBL11560458 0.88 CPB2 (0.41) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL9068526 0.87 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2RMME
SCHEMBL9069166 0.86 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL11207356 0.85 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL10919416 0.85 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL9068524 0.85 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RMME
SCHEMBL7329184 0.85 MME (0.40) NPY4RNPY1RNPY5RNPY2RMME
SCHEMBL11352509 0.84 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL10918462 0.84 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2R
SCHEMBL11147609 0.82 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFOLH1

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed