SCHEMBL7663178

SCHEMBL7663178

N#CCNC(=O)[C@H](CS(=O)(=O)Cc1c(F)cccc1C(F)(F)F)NC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.61
CTSS P25774 10/20 0.61
CTSB P07858 10/20 0.61
CTSK P43235 3/20 0.50
CTSV O60911 1/20 0.46

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
SCHEMBL7663176 1.00 CTSL (0.61) CTSLCTSSCTSBCTSKCTSV
SCHEMBL7666652 0.87 CTSL (0.61) CTSLCTSSCTSBCTSKCTSV
SCHEMBL7666648 0.87 CTSL (0.61) CTSLCTSSCTSBCTSKCTSV
SCHEMBL6740909 0.87 CTSB (0.66) CTSLCTSSCTSBCTSK
SCHEMBL6740912 0.87 CTSB (0.66) CTSLCTSSCTSBCTSK
SCHEMBL7660394 0.85 CTSL (0.67) CTSLCTSSCTSBCTSKCTSV
SCHEMBL7660389 0.85 CTSL (0.67) CTSLCTSSCTSBCTSKCTSV
SCHEMBL6740630 0.85 CTSL (0.69) CTSLCTSSCTSBCTSK
SCHEMBL6740626 0.85 CTSL (0.69) CTSLCTSSCTSBCTSK
SCHEMBL7665159 0.84 CTSL (0.60) CTSLCTSSCTSBCTSKCTSV

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