SCHEMBL6106643

SCHEMBL6106643

CC(C)CC(NC(=NC(N)=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C2CCC(C)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.53
CTSL P07711 2/20 0.41
CTSK P43235 2/20 0.41
CTSB P07858 1/20 0.39

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
SCHEMBL6106192 0.90 CTSS (0.51) CTSSCTSLCTSKCTSB
SCHEMBL6109574 0.90 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL5620832 0.89 CTSS (0.51) CTSSCTSLCTSKCTSB
SCHEMBL5620837 0.89 CTSS (0.51) CTSSCTSLCTSKCTSB
SCHEMBL5365802 0.89 CTSS (0.63) CTSSCTSL
SCHEMBL5365794 0.89 CTSS (0.63) CTSSCTSL
SCHEMBL6106965 0.88 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL6107306 0.83 CTSS (0.44) CTSSCTSLCTSK
SCHEMBL5364943 0.83 CTSS (0.65) CTSSCTSL
SCHEMBL5364952 0.83 CTSS (0.65) CTSSCTSL

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-6982272-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US disclosed