SCHEMBL4045083

SCHEMBL4045083

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.47
CTSL P07711 6/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 2/20 0.40
CHRNA7 P36544 1/20 0.40
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
ELANE P08246 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL4047771 0.92 CTSK (0.39) CTSKCHRNA7ELANEEPHX1
SCHEMBL4045179 0.91 CTSK (0.44) CTSKCTSLCTSSCTSBCHRNA7
SCHEMBL4041149 0.90 ITGA4 (0.39) CTSKCHRNA7
SCHEMBL4049549 0.89 GPR132 (0.38) CTSKCTSSCTSBCHRNA7EPHX1
SCHEMBL4048929 0.89 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL4045035 0.89 CTSK (0.45) CTSKCTSLCTSSCTSBCHRNA7
SCHEMBL4040214 0.89 GPR132 (0.39) CTSKCHRNA7
SCHEMBL4049343 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCHRNA7
SCHEMBL4050440 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCHRNA7
SCHEMBL4042165 0.88 EPHX1 (0.37) CTSKCTSLCTSSCTSBCHRNA7

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