SCHEMBL7666756

SCHEMBL7666756

N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccc(C#N)cc1)NC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 15/20 0.69
CTSS P25774 14/20 0.69
CTSL P07711 11/20 0.69
CTSK P43235 7/20 0.60
CTSV O60911 1/20 0.52

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
SCHEMBL7666752 1.00 CTSB (0.69) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6738426 0.92 CTSS (0.77) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6738423 0.92 CTSS (0.77) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6737515 0.90 CTSL (0.71) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6062083 0.90 CTSB (0.71) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6737787 0.90 CTSL (0.71) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6062072 0.90 CTSB (0.71) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6737510 0.90 CTSL (0.71) CTSBCTSSCTSLCTSKCTSV
SCHEMBL7667368 0.89 CTSB (0.69) CTSBCTSSCTSLCTSKCTSV
SCHEMBL7655921 0.89 CTSL (0.69) CTSBCTSSCTSLCTSKCTSV

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
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US disclosed