SCHEMBL7673570

SCHEMBL7673570

CC(C)(CC(N)=O)CC(=O)NC1(C#N)CCN(C(=O)N2CCOCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.45
CTSL P07711 2/20 0.39
CTSB P07858 4/20 0.36
CTSK P43235 4/20 0.36
ALDH1A1 P00352 1/20 0.36
DPP4 P27487 1/20 0.35
RECQL P46063 1/20 0.33

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
Hydrochloric Acid SCHEMBL7423592 0.75 KDM4E (0.33) CTSSCTSLCTSBCTSK
SCHEMBL4834545 0.65 CTSS (0.41) CTSSCTSLCTSBCTSK
SCHEMBL6108581 0.65 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL6106832 0.63 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL4838364 0.62 CTSS (0.35) CTSSCTSBCTSK
SCHEMBL25840979 0.61 MEN1 (0.57) ALDH1A1RECQL
SCHEMBL5357481 0.60 CTSS (0.38) CTSSCTSLCTSBCTSK
SCHEMBL21125312 0.60 EPHX2 (0.38) CTSSCTSLALDH1A1
SCHEMBL5361109 0.60 CTSS (0.35) CTSSCTSLCTSBCTSK
SCHEMBL5357486 0.60 CTSS (0.47) 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