SCHEMBL11560458

SCHEMBL11560458

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.41
FOLH1 Q04609 2/20 0.38
FNTA P49354 12/20 0.37
FNTB P49356 12/20 0.37
PGGT1B P53609 12/20 0.37
GNPAT O15228 1/20 0.37
NPY4R P50391 4/20 0.36
NPY1R P25929 3/20 0.36
NPY2R P49146 3/20 0.36
NPY5R Q15761 3/20 0.36

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
SCHEMBL7329184 0.89 MME (0.40) CPB2FOLH1GNPATNPY4RNPY1R
SCHEMBL9068939 0.88 NPY4R (0.43) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL7329266 0.87 FNTA (0.52) FNTAFNTBPGGT1BGNPAT
SCHEMBL10921836 0.84 CPB2 (0.57) CPB2FOLH1
SCHEMBL9068526 0.83 NPY4R (0.40) CPB2FOLH1NPY4RNPY1RNPY2R
SCHEMBL9069166 0.82 NPY4R (0.43) FOLH1FNTAFNTBPGGT1BNPY4R
SCHEMBL11207356 0.81 NPY4R (0.46) FNTAFNTBPGGT1BNPY4RNPY1R
SCHEMBL10919416 0.81 NPY4R (0.39) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL11352509 0.80 NPY4R (0.47) FNTAFNTBPGGT1BNPY4RNPY1R
SCHEMBL1718474 0.80 GNPAT (0.53) FOLH1GNPATNPY4RNPY1RNPY2R

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-4176235-A ANGIOTENSIN COVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-11-27 US disclosed