SCHEMBL10074726

SCHEMBL10074726

CCOC(=O)N[C@@H](CC(=O)NCC(C)(C)CNC(=O)[C@@H](O)[C@@H](COCc1ccccc1)NC(=O)OCC)Cc1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.39
CTSB P07858 2/20 0.35
SYK P43405 1/20 0.35
KLK5 Q9Y337 2/20 0.34
PSMB1 P20618 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
REN P00797 1/20 0.33
MMP12 P39900 1/20 0.33
SCN9A Q15858 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL10077385 1.00 CTSS (0.39) CTSSCTSBSYKKLK5PSMB1
SCHEMBL10077059 1.00 CTSS (0.39) CTSSCTSBSYKKLK5PSMB1
SCHEMBL10074997 0.95 PSMB1 (0.38) CTSSCTSBSYKKLK5PSMB1
SCHEMBL10074153 0.95 PSMB1 (0.38) CTSSCTSBSYKKLK5PSMB1
SCHEMBL10078263 0.94 CTSS (0.35) CTSSCTSBKLK5PSMB1REN
SCHEMBL10078394 0.92 SYK (0.42) CTSSSYKKLK5PSMB1REN
SCHEMBL10074252 0.92 SYK (0.42) CTSSSYKKLK5PSMB1REN
SCHEMBL10074727 0.92 SYK (0.42) CTSSSYKKLK5PSMB1REN
SCHEMBL10074460 0.92 CTSS (0.42) CTSSSYKKLK5RENSCN9A
SCHEMBL10074141 0.92 CTSS (0.42) CTSSSYKKLK5RENSCN9A

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-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed