SCHEMBL7017690

SCHEMBL7017690

CCCC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.67
CTSV O60911 4/20 0.67
CTSL P07711 3/20 0.67
CTSK P43235 11/20 0.64
CCR1 P32246 2/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6804155 0.95 CTSS (0.73) CTSSCTSVCTSLCTSKCCR1
SCHEMBL5253507 0.91 CTSK (0.76) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6799742 0.91 CTSS (0.63) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4457833 0.90 CTSK (0.65) CTSSCTSVCTSLCTSKCCR1
SCHEMBL13677172 0.90 CTSK (0.79) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4449512 0.89 CTSK (0.67) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6807956 0.89 CTSK (0.81) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4457932 0.89 CTSK (0.58) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4444451 0.89 CTSS (0.58) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4459411 0.88 CTSK (0.68) CTSSCTSVCTSLCTSKCCR1

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