SCHEMBL6690872

SCHEMBL6690872

CN(CCNc1ccc(OC(F)(F)F)cc1)C(=O)[C@H](CC1CCCCC1)NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.53
CTSL P07711 18/20 0.53
CTSK P43235 12/20 0.52
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6688734 0.87 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL6688127 0.84 CTSS (0.72) CTSSCTSLCTSK
SCHEMBL6687351 0.84 CTSS (0.72) CTSSCTSLCTSK
SCHEMBL6694459 0.83 CTSS (0.70) CTSSCTSLCTSK
SCHEMBL6697440 0.83 CTSS (0.70) CTSSCTSLCTSK
SCHEMBL6690874 0.80 TDP1 (0.47) CTSSCTSLCTSKTDP1L3MBTL1
SCHEMBL6685718 0.78 TDP1 (0.48) CTSSCTSLCTSKTDP1L3MBTL1
SCHEMBL5843302 0.73 CTSS (0.67) CTSSCTSLCTSK
SCHEMBL5843306 0.73 CTSS (0.67) CTSSCTSLCTSK
SCHEMBL7471193 0.72 CTSL (0.52) CTSSCTSLCTSK

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-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed