SCHEMBL5256339

SCHEMBL5256339

O=C(NC(Cc1ccc(Cl)cc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.57
CTSS P25774 6/20 0.53
CTSV O60911 4/20 0.53
CTSL P07711 3/20 0.53
MGLL Q99685 1/20 0.40
CCR1 P32246 2/20 0.39
USP30 Q70CQ3 1/20 0.38
KLKB1 P03952 1/20 0.38
LIPE Q05469 1/20 0.38
CYP3A4 P08684 1/20 0.38
UGCG Q16739 1/20 0.38
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 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
SCHEMBL4456064 0.93 CTSK (0.58) CTSKCTSSCTSVCTSLUSP30
SCHEMBL5257600 0.93 CTSK (0.58) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4457945 0.93 CTSK (0.58) CTSKCTSSCTSVCTSLUSP30
SCHEMBL13677171 0.93 CTSK (0.58) CTSKCTSSCTSVCTSLUSP30
SCHEMBL5255435 0.92 CTSK (0.57) CTSKCTSSCTSVCTSLUSP30
SCHEMBL5253359 0.92 CTSK (0.57) CTSKCTSSCTSVCTSLUSP30
SCHEMBL5104885 0.92 CTSS (0.61) CTSKCTSSCTSVCTSLKLKB1
SCHEMBL5258559 0.91 CTSK (0.55) CTSKCTSSCTSVCTSLUSP30
SCHEMBL5253840 0.90 CTSK (0.57) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4452651 0.90 CTSK (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362052-B1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2007-03-07 EP disclosed
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