SCHEMBL4046622

SCHEMBL4046622

CC(C)CC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.40
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
CTSL P07711 7/20 0.34
CTSS P25774 5/20 0.34
CTSB P07858 3/20 0.34
CCR1 P32246 1/20 0.32
HTRA1 Q92743 1/20 0.32
PSMB5 P28074 1/20 0.32
P2RY12 Q9H244 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4046918 0.93 PREP (0.34) CTSKP2RY12
SCHEMBL4051477 0.91 CTSK (0.40) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4039158 0.90 CTSK (0.40) CTSKGRNSORT1CTSLCTSS
SCHEMBL4047044 0.87 CTSK (0.45) CTSKGRNSORT1CTSLCTSS
SCHEMBL4039525 0.84 CTSK (0.42) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4053835 0.84 CTSK (0.40) CTSKGRNSORT1CTSLCTSS
SCHEMBL4049444 0.84 PREP (0.33) CTSKCTSLCTSSCTSBP2RY12
SCHEMBL4047618 0.84 CTSK (0.40) CTSKGRNSORT1CTSLCTSS
SCHEMBL4049257 0.83 CTSK (0.41) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4045853 0.83 CTSK (0.38) CTSKCTSLCTSSCTSB

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