SCHEMBL7325656

SCHEMBL7325656

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(CCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.54
GNPAT O15228 1/20 0.50
ACE P12821 3/20 0.47
MMP3 P08254 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
NPY4R P50391 7/20 0.46
NPY1R P25929 5/20 0.46
NPY2R P49146 3/20 0.46
NPY5R Q15761 3/20 0.46
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
PGGT1B P53609 2/20 0.43

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
SCHEMBL7321037 0.88 NPY4R (0.58) GNPATNPY4RNPY1RNPY2RNPY5R
SCHEMBL5966616 0.87 GNPAT (0.50) MMEGNPATACEMMP3CPA1
SCHEMBL5966623 0.87 GNPAT (0.50) MMEGNPATACEMMP3CPA1
SCHEMBL5966704 0.87 GNPAT (0.50) MMEGNPATACEMMP3CPA1
SCHEMBL31184527 0.85 NPY4R (0.61) GNPATNPY4RNPY1RNPY2RNPY5R
SCHEMBL10381527 0.85 GNPAT (0.57) GNPATNPY4RNPY1RNPY2RNPY5R
SCHEMBL30692730 0.85 GNPAT (0.57) GNPATNPY4RNPY1RNPY2RNPY5R
SCHEMBL11294449 0.85 GNPAT (0.70) GNPATNPY4RNPY1RNPY2RNPY5R
SCHEMBL29577090 0.85 NPY4R (0.61) GNPATNPY4RNPY1RNPY2RNPY5R
SCHEMBL4048028 0.85 NPY4R (0.61) GNPATNPY4RNPY1RNPY2RNPY5R

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