SCHEMBL7106300

SCHEMBL7106300

O=C(NC(Cc1ccccc1)C(=O)N1CC[C@@H]2OCC(=O)C21)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.75
CTSV O60911 4/20 0.75
CTSL P07711 3/20 0.75
CTSK P43235 4/20 0.68
KMT2A Q03164 1/20 0.51
ACE P12821 7/20 0.48
ACE2 Q9BYF1 5/20 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
SCHEMBL6808619 1.00 CTSS (0.75) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL4446626 1.00 CTSS (0.75) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL13677203 1.00 CTSS (0.75) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL4452619 0.94 CTSS (0.70) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL13677164 0.94 CTSS (0.70) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL7100155 0.94 CTSS (0.70) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL4454178 0.94 CTSS (0.70) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL6804296 0.94 CTSS (0.70) CTSSCTSVCTSLCTSKACE
SCHEMBL6800638 0.93 CTSS (0.69) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL6804704 0.93 CTSS (0.69) CTSSCTSVCTSLCTSKKMT2A

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