SCHEMBL7664686

SCHEMBL7664686

CC(C)(C)c1ccc(CS(=O)(=O)C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.68
CTSB P07858 10/20 0.68
CTSS P25774 9/20 0.68
CTSK P43235 5/20 0.58
CTSV O60911 1/20 0.51

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
SCHEMBL7664683 1.00 CTSL (0.68) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6738426 0.91 CTSS (0.77) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6738423 0.91 CTSS (0.77) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6840753 0.91 CTSL (0.67) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6840750 0.91 CTSL (0.67) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6737515 0.89 CTSL (0.71) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6062072 0.89 CTSB (0.71) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6737787 0.89 CTSL (0.71) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6737510 0.89 CTSL (0.71) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6062083 0.89 CTSB (0.71) CTSLCTSBCTSSCTSKCTSV

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