SCHEMBL6690860

SCHEMBL6690860

COc1ccc(NCCNC(=O)C(CNC(=O)c2cccc(C(F)(F)F)c2)C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.61
CTSL P07711 11/20 0.61
CTSK P43235 7/20 0.61
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
CCR2 P41597 2/20 0.48
KCNH2 Q12809 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
SCHEMBL6692650 0.93 CTSS (0.60) CTSSCTSLCTSKABL1BCR
SCHEMBL6693060 0.89 CTSS (0.52) CTSSCTSLCTSK
SCHEMBL6692456 0.89 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL6687678 0.88 CTSS (0.71) CTSSCTSLCTSK
SCHEMBL6685947 0.87 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL6690825 0.87 CTSS (0.61) CTSSCTSLCTSKABL1BCR
SCHEMBL6685236 0.86 CTSS (0.60) CTSSCTSLCTSK
SCHEMBL6690368 0.86 CTSS (0.58) CTSSCTSLCTSK
SCHEMBL6687326 0.85 CTSS (0.50) CTSSCTSLCTSK
SCHEMBL6689155 0.85 CTSS (0.50) 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-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed