SCHEMBL7040960

SCHEMBL7040960

N#Cc1cccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 14/20 0.61
CTSL P07711 3/20 0.60
CTSS P25774 3/20 0.60
GPR34 Q9UPC5 1/20 0.53
MME P08473 2/20 0.51
FOLH1 Q04609 1/20 0.49

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
SCHEMBL8586104 1.00 CTSB (0.61) CTSBCTSLCTSSGPR34MME
SCHEMBL7040956 1.00 CTSB (0.61) CTSBCTSLCTSSGPR34MME
SCHEMBL8125308 0.91 CTSB (0.59) CTSBCTSLCTSS
SCHEMBL8111430 0.86 CTSB (0.63) CTSBCTSLCTSSMME
SCHEMBL8526387 0.86 CTSB (0.63) CTSBCTSLCTSSMME
SCHEMBL8586882 0.85 CTSB (0.56) CTSBCTSLCTSS
SCHEMBL8121321 0.84 GPR34 (0.52) CTSBGPR34MMEFOLH1
SCHEMBL8119544 0.84 CTSB (0.60) CTSBCTSLCTSS
SCHEMBL8526178 0.83 CTSB (0.59) CTSBCTSLCTSS
SCHEMBL12247346 0.83 FOLH1 (0.52) CTSBGPR34MMEFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed
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