SCHEMBL7125697

SCHEMBL7125697

CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.73
CTSS P25774 17/20 0.73
CTSL P07711 14/20 0.73
CTSB P07858 11/20 0.73

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
SCHEMBL4714963 0.95 CTSK (0.76) CTSKCTSSCTSLCTSB
SCHEMBL4718649 0.90 CTSK (0.71) CTSKCTSSCTSLCTSB
SCHEMBL4714408 0.85 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL4716413 0.85 CTSK (0.66) CTSKCTSSCTSLCTSB
SCHEMBL4712035 0.84 CTSK (1.00) CTSKCTSSCTSLCTSB
SCHEMBL4713424 0.84 CTSK (0.89) CTSKCTSSCTSLCTSB
SCHEMBL6215427 0.84 CTSK (0.89) CTSKCTSSCTSLCTSB
SCHEMBL4715874 0.84 CTSS (0.75) CTSKCTSSCTSLCTSB
SCHEMBL4712307 0.82 CTSK (0.68) CTSKCTSSCTSLCTSB
SCHEMBL4712461 0.82 CTSK (0.78) CTSKCTSSCTSLCTSB

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-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed