SCHEMBL6767485

SCHEMBL6767485

CCCCCN1CCC(C#N)(NC(=O)C(CC2CCCCC2)N/C(=N\C(=O)OCC)N2CCOCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.56
CTSL P07711 3/20 0.56

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
SCHEMBL6767493 1.00 CTSS (0.56) CTSSCTSL
SCHEMBL6348317 0.92 CTSS (0.57) CTSSCTSL
SCHEMBL6348315 0.92 CTSS (0.57) CTSSCTSL
SCHEMBL5374890 0.91 CTSS (0.60) CTSSCTSL
SCHEMBL5374897 0.91 CTSS (0.60) CTSSCTSL
SCHEMBL14383662 0.91 CTSS (0.62) CTSSCTSL
SCHEMBL6345811 0.89 CTSS (0.61) CTSSCTSL
SCHEMBL6345817 0.89 CTSS (0.61) CTSSCTSL
SCHEMBL6346360 0.88 CTSS (0.60) CTSSCTSL
SCHEMBL6346356 0.88 CTSS (0.60) 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