SCHEMBL7528316

SCHEMBL7528316

CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCCCCCC(=O)c5nc6ccccc6o5)CCCCC4)cc3)cs2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 17/20 0.62
CTSS P25774 17/20 0.62
CTSL P07711 16/20 0.62
CTSK P43235 4/20 0.62

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
SCHEMBL7531252 0.99 CTSB (0.63) CTSBCTSSCTSLCTSK
SCHEMBL7533780 0.83 CTSB (0.57) CTSBCTSSCTSLCTSK
SCHEMBL7529887 0.83 CTSB (0.64) CTSBCTSSCTSLCTSK
SCHEMBL7532628 0.83 CTSB (0.58) CTSBCTSSCTSLCTSK
SCHEMBL7531250 0.81 CTSB (0.55) CTSBCTSSCTSLCTSK
SCHEMBL7528310 0.81 CTSB (0.55) CTSBCTSSCTSLCTSK
SCHEMBL7532252 0.80 CTSL (0.54) CTSBCTSSCTSLCTSK
SCHEMBL7535431 0.80 CTSB (0.53) CTSBCTSSCTSLCTSK
SCHEMBL7535950 0.79 CTSL (0.49) CTSBCTSSCTSLCTSK
SCHEMBL7533012 0.79 FAAH (0.45) 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