SCHEMBL8349685

SCHEMBL8349685

CC(C)C[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.60
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
CTSS P25774 3/20 0.45
PSMB5 P28074 1/20 0.43
CCR1 P32246 3/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.38
PREP P48147 2/20 0.38
FAP Q12884 1/20 0.38

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
SCHEMBL8350078 0.93 CTSK (0.69) CTSKGRNSORT1CTSSPSMB5
SCHEMBL8349746 0.92 CTSK (0.59) CTSKGRNSORT1CTSSCCR1
SCHEMBL4043042 0.84 CTSK (0.68) CTSKCTSSCCR1CTSLPOLB
SCHEMBL4041237 0.84 CTSK (0.82) CTSKCTSSCCR1RAB9APREP
SCHEMBL4215661 0.84 CTSK (0.82) CTSKCTSSCCR1RAB9APREP
SCHEMBL4215663 0.84 CTSK (0.82) CTSKCTSSCCR1RAB9APREP
SCHEMBL5941468 0.84 CTSK (0.82) CTSKCTSSCCR1RAB9APREP
SCHEMBL13909109 0.83 CTSK (0.69) CTSKGRNSORT1CTSSCCR1
SCHEMBL4219217 0.83 CTSK (0.82) CTSKCTSSCCR1CTSLPOLB
SCHEMBL4041422 0.83 CTSK (0.82) CTSKCTSSCCR1CTSLPOLB

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed