SCHEMBL7329184

SCHEMBL7329184

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.40
ACE P12821 1/20 0.39
FOLH1 Q04609 2/20 0.38
NPY4R P50391 12/20 0.37
NPY1R P25929 9/20 0.37
NPY5R Q15761 8/20 0.37
NPY2R P49146 5/20 0.37
GNPAT O15228 1/20 0.36
NOD1 Q9Y239 1/20 0.36
CPB2 Q96IY4 1/20 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 0.89 CPB2 (0.41) FOLH1NPY4RNPY1RNPY5RNPY2R
SCHEMBL9068939 0.85 NPY4R (0.43) MMEFOLH1NPY4RNPY1RNPY5R
SCHEMBL24805410 0.83 NPY4R (0.40) FOLH1NPY4RNPY1RNPY5RNPY2R
SCHEMBL7323579 0.82 ACE (0.44) ACE
SCHEMBL9068526 0.82 NPY4R (0.40) MMEFOLH1NPY4RNPY1RNPY5R
SCHEMBL17104378 0.82 NPY4R (0.42) FOLH1NPY4RNPY1RNPY5RNPY2R
SCHEMBL17104376 0.82 NPY4R (0.42) FOLH1NPY4RNPY1RNPY5RNPY2R
SCHEMBL9069166 0.81 NPY4R (0.43) FOLH1NPY4RNPY1RNPY5RNPY2R
SCHEMBL31454130 0.80 NOD1 (0.52) FOLH1NPY4RNPY1RNPY5RNPY2R
SCHEMBL5598692 0.80 NOD1 (0.52) FOLH1NPY4RNPY1RNPY5RNPY2R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474795-A ANALGESICS, MERCAPTO-ALKANOYL AMINO ACIDS E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4474799-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4401677-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1983-08-30 US disclosed