SCHEMBL7415420

SCHEMBL7415420

CC(=O)Nc1ccc(C(=O)NC(CC2CCCCC2)C(=O)NC2(C(C)(C)C#N)CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.50
CTSL P07711 5/20 0.50
USP30 Q70CQ3 10/20 0.49
CTSB P07858 2/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL7414894 0.79 CTSS (0.45) CTSSCTSLUSP30CTSBCTSK
SCHEMBL5372339 0.79 CTSL (0.64) CTSSCTSLUSP30CTSBCTSK
SCHEMBL5359753 0.78 CTSL (0.63) CTSSCTSLUSP30CTSBCTSK
SCHEMBL7415423 0.78 CTSS (0.43) CTSSCTSLUSP30CTSBCTSK
SCHEMBL5359608 0.77 CTSL (0.61) CTSSCTSLUSP30CTSBCTSK
SCHEMBL7414874 0.75 CTSS (0.46) CTSSCTSLUSP30CTSBCTSK
SCHEMBL7424840 0.74 CTSL (0.58) CTSSCTSLUSP30CTSBCTSK
SCHEMBL6975626 0.74 CTSS (0.38) CTSSCTSLCTSBCTSK
SCHEMBL5363304 0.74 CTSS (0.57) CTSSCTSLUSP30CTSBCTSK
SCHEMBL5363257 0.73 CTSS (0.55) CTSSCTSLUSP30CTSBCTSK

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
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP disclosed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO disclosed