SCHEMBL6764797

SCHEMBL6764797

CCCN1CCC(C#N)(NC(=O)C(COC(C)(C)C)N/C(=N\C(=O)OCC)N2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.46
CTSL P07711 3/20 0.41
CTSB P07858 8/20 0.36
CTSK P43235 8/20 0.36

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
SCHEMBL6764800 1.00 CTSS (0.46) CTSSCTSLCTSBCTSK
SCHEMBL14383664 0.91 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL7175129 0.89 CTSS (0.45) CTSSCTSLCTSBCTSK
SCHEMBL5364179 0.89 CTSS (0.45) CTSSCTSLCTSBCTSK
SCHEMBL5364173 0.89 CTSS (0.45) CTSSCTSLCTSBCTSK
SCHEMBL6348592 0.86 CTSS (0.44) CTSSCTSLCTSBCTSK
SCHEMBL6348591 0.86 CTSS (0.44) CTSSCTSLCTSBCTSK
SCHEMBL14383662 0.85 CTSS (0.62) CTSSCTSL
SCHEMBL6344944 0.83 CTSS (0.48) CTSSCTSL
SCHEMBL6344947 0.83 CTSS (0.48) 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-6787540-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ASTHMA, OSTEOPOROSIS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-07 US disclosed