SCHEMBL4051972

SCHEMBL4051972

CC(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2C1C(=O)CN2OC(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.54
CTSS P25774 3/20 0.42
CTSL P07711 3/20 0.40
CTSV O60911 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CCR1 P32246 1/20 0.39
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4048280 0.95 CTSK (0.56) CTSKCTSSCTSLCTSVKMT2A
SCHEMBL4044248 0.93 CTSK (0.60) CTSKCTSSCTSL
SCHEMBL4045482 0.92 CTSK (0.54) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4045586 0.90 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4043955 0.89 CTSK (0.58) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4043683 0.88 CTSK (0.54) CTSKCTSSCTSLCTSVMEN1
SCHEMBL4042238 0.88 CTSK (0.70) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4047872 0.88 CTSK (0.61) CTSKCTSSCTSLCTSVMEN1
SCHEMBL4047208 0.87 CTSK (0.71) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4045165 0.87 CTSK (0.61) CTSKCTSSCTSLCTSVCCR1

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed