SCHEMBL7146286

SCHEMBL7146286

CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC[C@@H]2OCC(=O)C21

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.72
CTSS P25774 5/20 0.69
CTSV O60911 3/20 0.69
CTSL P07711 3/20 0.69
CCR1 P32246 1/20 0.56
ACE P12821 3/20 0.48
PREP P48147 1/20 0.46
FAP Q12884 1/20 0.46
ACE2 Q9BYF1 2/20 0.46

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
SCHEMBL13677330 1.00 CTSK (0.72) CTSKCTSSCTSVCTSLCCR1
SCHEMBL5257844 1.00 CTSK (0.72) CTSKCTSSCTSVCTSLCCR1
SCHEMBL13677370 1.00 CTSK (0.72) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4459111 1.00 CTSK (0.72) CTSKCTSSCTSVCTSLCCR1
SCHEMBL13677299 0.95 CTSK (0.71) CTSKCTSSCTSVCTSLCCR1
SCHEMBL6808367 0.94 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL12828388 0.94 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL7145728 0.94 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4451602 0.94 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL6797687 0.94 CTSK (0.83) CTSKCTSSCTSVCTSLCCR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed