SCHEMBL8525928

SCHEMBL8525928

Cc1c(C)c(S(=O)(=O)N(Cc2ccc(C(N)C(=O)c3ccccc3)cc2)C(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c2ccccc2)c2ccccc2)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.39
PLAU P00749 2/20 0.39
F10 P00742 1/20 0.39
KLKB1 P03952 1/20 0.39
F2 P00734 2/20 0.34
NPY1R P25929 7/20 0.33
TACR2 P21452 1/20 0.32
NPY4R P50391 7/20 0.32
ST14 Q9Y5Y6 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
NPY2R P49146 2/20 0.31
NPY5R Q15761 2/20 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
SCHEMBL8525681 0.91 PLG (0.40) PLGPLAUF10KLKB1F2
SCHEMBL8609799 0.78 PLG (0.35) PLGPLAUF10KLKB1F2
SCHEMBL8526347 0.78 PLG (0.40) PLGPLAUF10KLKB1F2
SCHEMBL8526791 0.77 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL8584082 0.75 PLG (0.38) PLGPLAUF10KLKB1F2
SCHEMBL8526793 0.75 PLG (0.47) PLGPLAUF10KLKB1F2
SCHEMBL8587026 0.75 PLG (0.34) PLGPLAUF10KLKB1NPY1R
SCHEMBL8526308 0.74 NPY1R (0.35) PLGPLAUF10KLKB1NPY1R
SCHEMBL8582403 0.74 PLG (0.37) PLGPLAUF10KLKB1
SCHEMBL7038734 0.74 PLG (0.47) PLGPLAUF10KLKB1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed