SCHEMBL8526178

SCHEMBL8526178

N#Cc1cccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 15/20 0.59
CTSL P07711 4/20 0.58
CTSS P25774 4/20 0.58
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
MMP1 P03956 1/20 0.46
FCER2 P06734 1/20 0.46
CNR1 P21554 1/20 0.44
NPY1R P25929 2/20 0.44
NPY4R P50391 2/20 0.44
NPY5R Q15761 1/20 0.44

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
SCHEMBL8528337 0.92 CTSB (0.57) CTSBCTSLCTSSKLKB1KLK1
SCHEMBL8119544 0.91 CTSB (0.60) CTSBCTSLCTSSKLKB1KLK1
SCHEMBL8119060 0.88 CTSB (0.59) CTSBCTSLCTSSKLKB1KLK1
SCHEMBL7039825 0.87 CTSB (0.56) CTSBCTSLCTSSKLKB1KLK1
SCHEMBL8118532 0.84 CTSB (0.56) CTSBCTSLCTSSKLKB1KLK1
SCHEMBL7040956 0.83 CTSB (0.61) CTSBCTSLCTSS
SCHEMBL8586104 0.83 CTSB (0.61) CTSBCTSLCTSS
SCHEMBL7040960 0.83 CTSB (0.61) CTSBCTSLCTSS
SCHEMBL8125308 0.81 CTSB (0.59) CTSBCTSLCTSS
SCHEMBL8120139 0.81 CTSB (0.63) CTSBCTSLCTSSMMP1FCER2

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