SCHEMBL7675072

SCHEMBL7675072

CC(=O)N1CCC(C#N)(NC(=O)C(C(N)=O)C2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 7/20 0.41
CTSK P43235 7/20 0.41
EPHX2 P34913 2/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL7675075 0.82 CTSS (0.44) CTSSCTSLCTSBCTSK
SCHEMBL7419722 0.81 CTSS (0.47) CTSSCTSL
Hydrochloric Acid SCHEMBL7418337 0.81 CTSS (0.40) CTSSCTSLCTSBCTSKEPHX1
SCHEMBL5362176 0.78 CTSS (0.53) CTSSCTSL
SCHEMBL7013068 0.77 CTSS (0.48) CTSSCTSLEPHX1
SCHEMBL7417604 0.77 EPHX1 (0.33) CTSSCTSLEPHX1
SCHEMBL7676320 0.72 CTSS (0.49) CTSS
SCHEMBL8296552 0.71 CTSS (0.45) CTSSCTSL
SCHEMBL8296548 0.70 CTSS (0.42) CTSSCTSL
SCHEMBL2526560 0.70 CTSS (0.59) CTSSCTSLCTSBCTSK

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-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US disclosed