SCHEMBL14563131

SCHEMBL14563131

CN(C)CCOc1cccc2c3c([nH]c12)CCN(C(=O)C1CCCCC1)C3.N#CC1(NC(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.60
CTSB P07858 1/20 0.47

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
SCHEMBL14563005 0.93 CTSK (0.61) CTSKCTSB
SCHEMBL14563095 0.91 CTSK (0.63) CTSKCTSB
SCHEMBL14563124 0.90 CTSK (0.59) CTSKCTSB
SCHEMBL14563092 0.90 CTSK (0.59) CTSKCTSB
SCHEMBL14563098 0.90 CTSK (0.62) CTSKCTSB
SCHEMBL2241877 0.89 CTSK (0.74) CTSKCTSB
SCHEMBL14563096 0.89 CTSK (0.65) CTSKCTSB
SCHEMBL14563110 0.89 CTSK (0.61) CTSKCTSB
SCHEMBL14563240 0.88 CTSK (0.57) CTSKCTSB
SCHEMBL14563097 0.86 CTSK (0.79) CTSKCTSB

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
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP claimed