SCHEMBL8526387

SCHEMBL8526387

N#Cc1ccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 10/20 0.63
CTSL P07711 3/20 0.63
CTSS P25774 3/20 0.63
MME P08473 7/20 0.55
ACE2 Q9BYF1 5/20 0.55
ACE P12821 4/20 0.53
CPA1 P15085 4/20 0.53
SOAT1 P35610 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
SCHEMBL8111430 1.00 CTSB (0.63) CTSBCTSLCTSSMMEACE2
SCHEMBL7040960 0.86 CTSB (0.61) CTSBCTSLCTSSMME
SCHEMBL7040956 0.86 CTSB (0.61) CTSBCTSLCTSSMME
SCHEMBL8586104 0.86 CTSB (0.61) CTSBCTSLCTSSMME
SCHEMBL9194663 0.86 CTSL (0.68) CTSBCTSLCTSSMMEACE2
SCHEMBL8120784 0.86 CTSL (0.68) CTSBCTSLCTSSMMEACE2
SCHEMBL8120788 0.86 CTSL (0.68) CTSBCTSLCTSSMMEACE2
SCHEMBL8120139 0.84 CTSB (0.63) CTSBCTSLCTSS
SCHEMBL8355579 0.84 CTSB (0.56) CTSBCTSLCTSSMMEACE2
SCHEMBL8355762 0.83 MME (0.65) CTSBCTSLCTSSMMEACE2

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