SCHEMBL7220139

SCHEMBL7220139

CCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(=NS(C)(=O)=O)N2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.49
CTSL P07711 2/20 0.44
CTSK P43235 14/20 0.42
CTSB P07858 13/20 0.42

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
SCHEMBL6111527 0.88 CTSS (0.50) CTSSCTSLCTSKCTSB
SCHEMBL6111534 0.88 CTSS (0.50) CTSSCTSLCTSKCTSB
SCHEMBL6107557 0.86 CTSS (0.64) CTSSCTSLCTSKCTSB
SCHEMBL5364142 0.85 CTSS (0.63) CTSSCTSL
SCHEMBL5364140 0.85 CTSS (0.63) CTSSCTSL
SCHEMBL6112353 0.85 CTSS (0.51) CTSSCTSLCTSKCTSB
SCHEMBL6112347 0.85 CTSS (0.51) CTSSCTSLCTSKCTSB
SCHEMBL14383664 0.85 CTSS (0.47) CTSSCTSLCTSKCTSB
SCHEMBL6107436 0.85 CTSS (0.44) CTSSCTSLCTSKCTSB
SCHEMBL7070928 0.84 CTSS (0.53) CTSSCTSLCTSKCTSB

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-6525052-B2 Treating autoimmune diseases, Alzheimer's disease, atherosclerosis, osteoporosis, and asthma BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-02-25 US claimed