SCHEMBL7663293

SCHEMBL7663293

N#CCNC(=O)C(CNC(=O)c1ccccc1)S(=O)(=O)Cc1c(F)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.44
CTSB P07858 8/20 0.44
CTSS P25774 7/20 0.44
CTSK P43235 5/20 0.43
CTSV O60911 1/20 0.40

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
SCHEMBL7659358 0.89 CTSL (0.42) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7660398 0.87 CTSL (0.44) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6740637 0.87 CTSL (0.46) CTSLCTSBCTSSCTSK
SCHEMBL7655925 0.86 CTSL (0.49) CTSLCTSBCTSSCTSK
SCHEMBL6215306 0.85 CTSL (0.44) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6744442 0.85 CTSL (0.50) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6061807 0.85 CTSL (0.46) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7548085 0.85 CTSL (0.46) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6061910 0.84 CTSL (0.56) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6744437 0.83 CTSL (0.46) CTSLCTSBCTSSCTSK

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