SCHEMBL7272846

SCHEMBL7272846

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.59
KLK5 Q9Y337 1/20 0.56
CMA1 P23946 7/20 0.55
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
CTSL P07711 1/20 0.52
FKBP1A P62942 2/20 0.52
KMT2A Q03164 1/20 0.50

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
SCHEMBL7537159 0.96 ACE (0.63) ACEKLK5CMA1F2PRSS1
SCHEMBL7148899 0.96 ACE (0.63) ACEKLK5CMA1F2PRSS1
SCHEMBL7538363 0.93 ACE (0.59) ACEKLK5CMA1F2PRSS1
SCHEMBL7539511 0.93 ACE (0.59) ACEKLK5CMA1F2PRSS1
SCHEMBL25448062 0.91 ACE (0.57) ACEKLK5CMA1F2PRSS1
SCHEMBL6435112 0.91 ACE (0.57) ACEKLK5CMA1F2PRSS1
SCHEMBL8366751 0.90 ACE (0.56) ACEKLK5CMA1F2PRSS1
SCHEMBL7265619 0.90 PREP (0.57) ACEKLK5CMA1CTSLFKBP1A
SCHEMBL7321218 0.89 ACE (0.60) ACEKLK5CMA1F2PRSS1
SCHEMBL10403794 0.89 ACE (0.56) ACEKLK5CMA1F2PRSS1

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