SCHEMBL4047761

SCHEMBL4047761

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)CN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.47
CTSL P07711 6/20 0.36
CTSS P25774 5/20 0.36
CTSB P07858 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PSMB9 P28065 1/20 0.32
NMUR2 Q9GZQ4 1/20 0.32
NMUR1 Q9HB89 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
SCHEMBL4049988 0.92 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL4048273 0.90 CTSK (0.48) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4043145 0.89 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4040040 0.88 CTSK (0.51) CTSKCTSSCTSB
SCHEMBL4044220 0.88 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL4050266 0.87 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL4049584 0.86 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4048584 0.86 CTSK (0.48) CTSKCTSLCTSSCTSBPSMB9
SCHEMBL4042205 0.86 CTSK (0.48) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4051325 0.86 CTSK (0.48) CTSKCTSLCTSSCTSBMEN1

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