SCHEMBL7270432

SCHEMBL7270432

CC(C)(C)OC(=O)N[C@@H](CCCC(N)C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ACE P12821 2/20 0.47
CTSL P07711 1/20 0.47
KLK5 Q9Y337 1/20 0.46
FKBP1A P62942 5/20 0.46
DPP4 P27487 3/20 0.46
DPP8 Q6V1X1 3/20 0.46
CMA1 P23946 3/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CTRC Q99895 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
DPP7 Q9UHL4 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
SCHEMBL7264414 0.97 ITGB3 (0.51) F2PRSS1ITGB3ITGA2BACE
SCHEMBL7272824 0.91 ACE (0.57) F2PRSS1ITGB3ITGA2BACE
SCHEMBL7272846 0.87 ACE (0.59) F2PRSS1ACECTSLKLK5
SCHEMBL8364102 0.85 ACE (0.54) F2PRSS1ITGB3ITGA2BACE
SCHEMBL16215777 0.85 ITGB3 (0.63) F2PRSS1ITGB3ITGA2BACE
SCHEMBL17460683 0.85 ITGB3 (0.63) F2PRSS1ITGB3ITGA2BACE
SCHEMBL38652049 0.85 ACE (0.54) F2PRSS1ITGB3ITGA2BACE
SCHEMBL38652097 0.84 CMA1 (0.56) F2PRSS1ITGB3ITGA2BACE
SCHEMBL7265619 0.84 PREP (0.57) ACECTSLKLK5FKBP1ACMA1
SCHEMBL1815101 0.84 ACE (0.55) F2PRSS1ITGB3ITGA2BACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590178-A DIURETICS AJINOMOTO COMPANY, INCORPORATED (JP) 1986-05-20 US disclosed
US-4536395-A DIPEPTIDES AJINOMOTO CO., INC. (JP) 1985-08-20 US disclosed
US-4472381-A Amino acid derivatives, methods of preparing said derivatives and antihypertensive drugs containing them AJINOMOTO COMPANY INCORPORATED (JP) 1984-09-18 US disclosed
EP-0085488-A2 Amino acid derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1983-08-10 EP disclosed