SCHEMBL7564802

SCHEMBL7564802

N#CCNC(=O)C(CNC(=O)c1ccccc1C(F)(F)F)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.46
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PTGES O14684 11/20 0.41
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PTPRC P08575 1/20 0.38

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
SCHEMBL7561473 0.86 CTSK (0.48) CTSLCTSBCTSSCTSKLMNA
SCHEMBL5525920 0.85 CTSL (0.46) CTSLCTSBCTSSCTSK
SCHEMBL5529224 0.85 NPC1 (0.50) CTSLCTSBCTSSCTSK
SCHEMBL5523266 0.84 CTSK (0.47) CTSLCTSBCTSSCTSKLMNA
SCHEMBL5525371 0.84 RAB9A (0.49) CTSLCTSBCTSSCTSK
SCHEMBL5526078 0.84 CTSL (0.47) CTSLCTSBCTSSCTSKLMNA
SCHEMBL5527661 0.83 CTSL (0.57) CTSLCTSBCTSSCTSKDPP4
SCHEMBL5525342 0.82 CTSL (0.60) CTSLCTSBCTSSCTSKLMNA
SCHEMBL5520555 0.82 KCNA3 (0.49) CTSLCTSBCTSSCTSK
SCHEMBL5526253 0.82 HPGD (0.51) CTSLCTSBCTSSCTSKMAPT

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-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed