SCHEMBL4360848

SCHEMBL4360848

CC(C)CC(NC(=O)c1ccc(C(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.82
CTSS P25774 5/20 0.61
CCR1 P32246 2/20 0.49
CTSL P07711 3/20 0.44
CTSV O60911 2/20 0.44
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
CTSB P07858 1/20 0.39

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
SCHEMBL5941639 1.00 CTSK (0.82) CTSKCTSSCCR1CTSLCTSV
SCHEMBL13909117 1.00 CTSK (0.82) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4360850 1.00 CTSK (0.82) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4360845 1.00 CTSK (0.82) CTSKCTSSCCR1CTSLCTSV
SCHEMBL5942080 0.94 CTSK (0.88) CTSKCTSSCCR1CTSLCTSV
SCHEMBL5942073 0.94 CTSK (0.88) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4040287 0.93 CTSK (0.82) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4369353 0.92 CTSK (0.84) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4369360 0.92 CTSK (0.84) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4369357 0.92 CTSK (0.84) CTSKCTSSCCR1CTSLCTSV

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 disclosed