SCHEMBL7534190

SCHEMBL7534190

CCCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.91

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.91
CTSL P07711 15/20 0.91
CTSB P07858 15/20 0.91
CTSS P25774 15/20 0.91
MME P08473 1/20 0.45
TACR2 P21452 1/20 0.42

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
SCHEMBL7537053 0.90 CTSS (1.00) CTSKCTSLCTSBCTSSMME
SCHEMBL7569060 0.90 CTSS (1.00) CTSKCTSLCTSBCTSSMME
SCHEMBL7529726 0.88 CTSS (1.00) CTSKCTSLCTSBCTSSMME
SCHEMBL7531501 0.87 CTSS (1.00) CTSKCTSLCTSBCTSSMME
SCHEMBL7533075 0.83 CTSL (1.00) CTSKCTSLCTSBCTSSTACR2
SCHEMBL7526718 0.83 CTSL (0.88) CTSKCTSLCTSBCTSSMME
SCHEMBL7537335 0.81 CTSL (0.65) CTSKCTSLCTSBCTSSMME
SCHEMBL7528445 0.81 CTSS (0.74) CTSKCTSLCTSBCTSSMME
SCHEMBL7537340 0.80 CTSL (0.66) CTSKCTSLCTSBCTSS
SCHEMBL14597802 0.78 CTSL (0.57) CTSKCTSLCTSBCTSSTACR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed