SCHEMBL11264758

SCHEMBL11264758

NCCCCC(C(=O)O)[C@@]1(C(=O)O)CCCN1C(=O)N(N)CCCCN

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.31
RNPEP Q9H4A4 1/20 0.31

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
SCHEMBL11243251 0.87 ACE (0.37)
SCHEMBL7318606 0.79 DPP7 (0.43) GSR
SCHEMBL7321859 0.69 DPP7 (0.39) GSR
SCHEMBL5552493 0.69 DPP8 (0.43)
SCHEMBL649164 0.69 DPP8 (0.43)
SCHEMBL7318918 0.69 DPP7 (0.39) GSR
Water SCHEMBL3369508 0.68 DPP7 (0.42)
SCHEMBL7327932 0.67 DPP7 (0.38) GSR
SCHEMBL10883512 0.65 DPP7 (0.39)
SCHEMBL20104772 0.62 GSR (0.44) GSRRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058918-A1 Aza analogs of aminoacid derivatives as antihypertensives MERCK & CO. INC. (US) 1982-09-01 EP disclosed