SCHEMBL14563140

SCHEMBL14563140

COc1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCCCC1)CC3.N#CC1(NC(=O)O)CC1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.79
▸ CTSB P07858 1/20 0.61
▸ BAZ2B Q9UIF8 1/20 0.54
▸ KDR P35968 1/20 0.51
▸ CFTR P13569 1/20 0.49

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
SCHEMBL14563135 0.88 CTSK (0.79) CTSKCTSB
SCHEMBL2241195 0.88 CTSK (1.00) CTSKCTSB
SCHEMBL14563201 0.88 CTSB (0.78) CTSKCTSBBAZ2B
SCHEMBL14563182 0.88 CTSK (0.64) CTSKCTSBBAZ2B
SCHEMBL14563104 0.88 CTSK (0.78) CTSKCTSBBAZ2B
SCHEMBL14563155 0.87 CTSK (0.79) CTSKCTSBBAZ2B
SCHEMBL14563177 0.86 CTSK (0.77) CTSKCTSB
SCHEMBL14563247 0.85 CTSK (0.59) CTSKCTSB
SCHEMBL14563165 0.83 CTSK (0.78) CTSKCTSB
SCHEMBL14563096 0.83 CTSK (0.65) 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
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