SCHEMBL7119619

SCHEMBL7119619

CC(C)CC(C(=O)NCC#N)c1nc(-c2ccc(N3CCCC3)cc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.55
CTSS P25774 18/20 0.55
CTSL P07711 17/20 0.55
CTSB P07858 17/20 0.55

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
SCHEMBL4714808 0.86 CTSK (0.66) CTSKCTSSCTSLCTSB
SCHEMBL4714337 0.85 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL6182674 0.83 CTSL (0.59) CTSKCTSSCTSLCTSB
SCHEMBL4718811 0.78 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL6180967 0.77 CTSS (0.57) CTSKCTSSCTSLCTSB
SCHEMBL7128254 0.77 CTSK (0.71) CTSKCTSSCTSLCTSB
SCHEMBL4711786 0.76 CTSK (0.69) CTSKCTSSCTSLCTSB
SCHEMBL4714143 0.75 CTSK (0.53) CTSKCTSSCTSLCTSB
SCHEMBL13341086 0.74 MAOA (0.48)
SCHEMBL4699248 0.73 CTSL (0.58) 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