SCHEMBL14563247

SCHEMBL14563247

CN(C)Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCCCC1)CC3.N#CC1(NC(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 17/20 0.59
▸ CTSB P07858 2/20 0.59
▸ CTSS P25774 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
SCHEMBL2244031 0.89 CTSK (0.75) CTSKCTSBCTSS
SCHEMBL14563135 0.86 CTSK (0.79) CTSKCTSB
SCHEMBL14563104 0.86 CTSK (0.78) CTSKCTSB
SCHEMBL14563201 0.86 CTSB (0.78) CTSKCTSBCTSS
SCHEMBL14563182 0.86 CTSK (0.64) CTSKCTSB
SCHEMBL14563140 0.85 CTSK (0.79) CTSKCTSB
SCHEMBL14563155 0.85 CTSK (0.79) CTSKCTSB
SCHEMBL14563177 0.84 CTSK (0.77) CTSKCTSB
SCHEMBL14563165 0.81 CTSK (0.78) CTSKCTSBCTSS
SCHEMBL14563152 0.80 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
Send feedback