SCHEMBL4044248

SCHEMBL4044248

CC(C)CC(NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)N1CCC2C1C(=O)CN2OC(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.60
CTSS P25774 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTSL P07711 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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) CTSKCTSSNPC1RAB9ACTSL
SCHEMBL4051972 0.93 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4045482 0.92 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4044918 0.90 CTSK (0.62) CTSKCTSSCTSL
SCHEMBL4043955 0.89 CTSK (0.58) CTSKCTSSCTSL
SCHEMBL4047026 0.88 CTSK (0.60) CTSKCTSSCTSL
SCHEMBL4042211 0.88 CTSK (0.63) CTSKCTSSNPC1RAB9ACTSL
SCHEMBL4042238 0.88 CTSK (0.70) CTSKCTSSCTSL
SCHEMBL4047208 0.87 CTSK (0.71) CTSKCTSSCTSL
SCHEMBL4045165 0.87 CTSK (0.61) CTSKCTSSCTSL

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