SCHEMBL4044729

SCHEMBL4044729

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.49
CTSL P07711 8/20 0.42
CTSS P25774 7/20 0.42
CTSB P07858 3/20 0.40
CACNA1B Q00975 5/20 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
SCHEMBL4042239 0.99 CTSK (0.49) CTSKCTSLCTSSCTSBCACNA1B
SCHEMBL4048790 0.93 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4048273 0.93 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4051142 0.92 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4051385 0.89 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4049584 0.89 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4051326 0.88 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4043745 0.88 CTSK (0.63) CTSKCTSLCTSSCTSB
SCHEMBL4047621 0.88 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4047631 0.88 CTSK (0.48) CTSKCTSLCTSSCTSB

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