SCHEMBL4043952

SCHEMBL4043952

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.42
CTSL P07711 6/20 0.39
CTSS P25774 4/20 0.39
CTSB P07858 2/20 0.39
CHRNA7 P36544 1/20 0.38
FKBP1A P62942 1/20 0.37

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
SCHEMBL4043998 0.92 FKBP1A (0.37) CTSKCTSSCTSBCHRNA7FKBP1A
SCHEMBL4050147 0.92 CTSK (0.40) CTSKCTSLCTSSCTSBFKBP1A
SCHEMBL4045511 0.90 F2 (0.38) CTSKCTSSCTSB
SCHEMBL4047615 0.90 CTSB (0.38) CTSKCTSSCTSBCHRNA7FKBP1A
SCHEMBL4042866 0.89 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL4051777 0.89 CTSK (0.44) CTSKCTSLCTSSCTSBCHRNA7
SCHEMBL4044003 0.89 CTSK (0.40) CTSKCTSLCTSSCTSBCHRNA7
SCHEMBL4050328 0.89 SCN9A (0.39) CTSKCTSSCTSBCHRNA7FKBP1A
SCHEMBL4048306 0.89 CTSK (0.38) CTSKCTSLCTSSCTSB
SCHEMBL4042764 0.89 CTSK (0.38) CTSKCTSLCTSSCTSBFKBP1A

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