SCHEMBL7150349

SCHEMBL7150349

C=Cc1ccc(C(=O)NC(CC(C)C)C(=O)N2CC[C@@H]3OCC(=O)C32)cc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.77
CTSS P25774 9/20 0.58
CTSL P07711 6/20 0.58
CTSV O60911 3/20 0.58
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52

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
SCHEMBL4452158 1.00 CTSK (0.77) CTSKCTSSCTSLCTSVTAS1R3
SCHEMBL4458887 1.00 CTSK (0.77) CTSKCTSSCTSLCTSVTAS1R3
SCHEMBL13677177 1.00 CTSK (0.77) CTSKCTSSCTSLCTSVTAS1R3
SCHEMBL4449567 0.95 CTSK (0.69) CTSKCTSSCTSLCTSVTAS1R3
SCHEMBL4455830 0.90 CTSK (0.62) CTSKCTSSCTSLCTSVTAS1R3
SCHEMBL4455880 0.89 CTSS (0.71) CTSKCTSSCTSLCTSVTAS1R3
SCHEMBL8230139 0.89 CTSK (0.79) CTSKCTSSCTSLCTSV
SCHEMBL4452702 0.89 CTSK (0.82) CTSKCTSSCTSLCTSV
SCHEMBL5259245 0.89 CTSK (0.82) CTSKCTSSCTSLCTSV
SCHEMBL13677272 0.89 CTSK (0.82) CTSKCTSSCTSLCTSV

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