SCHEMBL7122545

SCHEMBL7122545

CC(C)CC(C(=O)NC(C#N)CCCCN(Cc1ccccc1)C(=O)O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.55
CTSS P25774 17/20 0.55
CTSL P07711 14/20 0.55
CTSB P07858 11/20 0.49
PTGES O14684 1/20 0.43

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
SCHEMBL4714733 0.88 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL4760494 0.84 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL4714146 0.84 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL4712442 0.83 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL4717551 0.80 CTSK (0.55) CTSKCTSSCTSLCTSB
SCHEMBL4714590 0.80 CTSB (0.64) CTSKCTSSCTSLCTSB
SCHEMBL4717271 0.78 CTSS (0.63) CTSKCTSSCTSLCTSB
SCHEMBL4717197 0.77 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL4715050 0.72 CTSK (1.00) CTSKCTSSCTSLCTSB
SCHEMBL4714948 0.71 CTSK (0.57) 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