SCHEMBL7019264

SCHEMBL7019264

O=C1COC2CCN(C(=O)CCc3ccc(O)cc3)C12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
CTSK P43235 3/20 0.41
ME2 P23368 2/20 0.41
ME1 P48163 2/20 0.41
ME3 Q16798 2/20 0.41
FAAH O00519 1/20 0.39
NAAA Q02083 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
POLB P06746 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL7017635 0.89 CTSS (0.41) CTSSCTSVCTSLCTSKL3MBTL3
SCHEMBL7016644 0.89 GFER (0.42) CTSSCTSVCTSLCTSKME2
SCHEMBL7017081 0.84 OPRK1 (0.41) CTSSCTSVCTSLCTSK
SCHEMBL7016835 0.80 CTSS (0.41) CTSSCTSVCTSLCTSKME3
SCHEMBL5098324 0.78 DPP4 (0.58) CTSSCTSVCTSLCTSK
SCHEMBL13677233 0.77 CTSS (0.54) CTSSCTSVCTSLCTSK
SCHEMBL5104927 0.77 CTSS (0.54) CTSSCTSVCTSLCTSK
SCHEMBL4449120 0.77 CTSS (0.54) CTSSCTSVCTSLCTSK
SCHEMBL7016869 0.77 CTSS (0.43) CTSSCTSVCTSLCTSKNAAA
SCHEMBL7147742 0.76 CTSS (0.40) CTSSCTSVCTSLCTSK

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