SCHEMBL7529887

SCHEMBL7529887

O=C(NC1(C(=O)NCCCCC(=O)c2nc3ccccc3o2)CCCCC1)c1ccc(-c2csc(CN3CCOCC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 15/20 0.64
CTSS P25774 15/20 0.64
CTSL P07711 14/20 0.64
CTSK P43235 2/20 0.49
TACR2 P21452 3/20 0.44

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
SCHEMBL7532252 0.84 CTSL (0.54) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7531252 0.84 CTSB (0.63) CTSBCTSSCTSLCTSK
SCHEMBL7533893 0.83 CTSB (0.60) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7528316 0.83 CTSB (0.62) CTSBCTSSCTSLCTSK
SCHEMBL7529882 0.81 CTSB (0.57) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7533012 0.79 FAAH (0.45) CTSBCTSSCTSLCTSK
SCHEMBL7535321 0.78 FAAH (0.43) CTSBCTSSCTSLCTSK
SCHEMBL7535950 0.77 CTSL (0.49) CTSBCTSSCTSLCTSK
SCHEMBL7529866 0.77 FAAH (0.43) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7530297 0.77 CTSL (0.42) CTSBCTSSCTSLCTSK

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