SCHEMBL7529882

SCHEMBL7529882

CCCCN(C(=O)c1nc2ccccc2o1)C(=O)C1(NC(=O)c2ccc(-c3csc(CN4CCOCC4)n3)cc2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 15/20 0.57
CTSS P25774 15/20 0.57
CTSL P07711 14/20 0.57
CTSK P43235 4/20 0.44
TACR2 P21452 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7531250 0.84 CTSB (0.55) CTSBCTSSCTSLCTSK
SCHEMBL7532248 0.84 CTSL (0.47) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7533893 0.83 CTSB (0.60) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7528310 0.83 CTSB (0.55) CTSBCTSSCTSLCTSK
SCHEMBL7529887 0.81 CTSB (0.64) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7535944 0.79 MAPT (0.42) CTSBCTSSCTSLCTSKMAPT
SCHEMBL7531423 0.79 CTSL (0.39) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7533002 0.79 FAAH (0.38) CTSSCTSLCTSKKMT2A
SCHEMBL7535316 0.78 CTSL (0.40) CTSBCTSSCTSLCTSK
SCHEMBL7535431 0.78 CTSB (0.53) CTSBCTSSCTSLCTSKLMNA

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