SCHEMBL4222694

SCHEMBL4222694

CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.73
CTSL P07711 7/20 0.50
CTSS P25774 5/20 0.50
CTSB P07858 2/20 0.50
P2RX7 Q99572 1/20 0.48

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
SCHEMBL8349303 1.00 CTSK (0.73) CTSKCTSLCTSSCTSBP2RX7
SCHEMBL4222691 1.00 CTSK (0.73) CTSKCTSLCTSSCTSBP2RX7
SCHEMBL5942303 0.98 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL5941956 0.98 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL4222911 0.98 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL4217311 0.98 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL4217306 0.98 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL4222902 0.98 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL4217303 0.98 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL4219619 0.96 CTSK (0.73) 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 disclosed