SCHEMBL7321037

SCHEMBL7321037

CC(C)CC(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 13/20 0.58
NPY1R P25929 9/20 0.58
NPY5R Q15761 8/20 0.58
NPY2R P49146 5/20 0.58
KISS1R Q969F8 1/20 0.51
GNPAT O15228 1/20 0.51

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
SCHEMBL23405249 0.89 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL23405252 0.89 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30678879 0.89 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29959017 0.88 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL4728159 0.88 NPY4R (0.69) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL4728153 0.88 NPY4R (0.69) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31222396 0.88 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7325656 0.88 MME (0.54) NPY4RNPY1RNPY5RNPY2RGNPAT
SCHEMBL29959071 0.88 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30089310 0.88 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RKISS1R

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-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP disclosed