SCHEMBL7533893

SCHEMBL7533893

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 18/20 0.60
CTSS P25774 18/20 0.60
CTSL P07711 17/20 0.60
CTSK P43235 14/20 0.47
TACR2 P21452 1/20 0.43

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
SCHEMBL7532628 0.85 CTSB (0.58) CTSBCTSSCTSLCTSK
SCHEMBL7529887 0.83 CTSB (0.64) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7529882 0.83 CTSB (0.57) CTSBCTSSCTSLCTSKTACR2
SCHEMBL7533780 0.81 CTSB (0.57) CTSBCTSSCTSLCTSK
SCHEMBL7532283 0.81 CTSL (0.47) CTSBCTSSCTSLCTSK
SCHEMBL7533061 0.80 CTSS (0.56) CTSBCTSSCTSLCTSK
SCHEMBL7530187 0.80 CTSS (0.57) CTSBCTSSCTSLCTSK
SCHEMBL7532290 0.79 CTSS (0.58) CTSBCTSSCTSLCTSK
SCHEMBL7526705 0.79 CTSS (0.55) CTSBCTSSCTSLCTSK
SCHEMBL7535905 0.79 CTSS (0.51) CTSBCTSSCTSLCTSKTACR2

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
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed