SCHEMBL14563201

SCHEMBL14563201

N#CC1(NC(=O)O)CC1.O=C(C1CCCCC1)N1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 5/20 0.78
▸ CTSK P43235 17/20 0.68
▸ CTSS P25774 1/20 0.59
▸ BAZ2B Q9UIF8 1/20 0.52

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
SCHEMBL14563165 0.93 CTSK (0.78) CTSBCTSKCTSS
SCHEMBL14563182 0.90 CTSK (0.64) CTSBCTSKBAZ2B
SCHEMBL14563104 0.90 CTSK (0.78) CTSBCTSKBAZ2B
SCHEMBL14563135 0.89 CTSK (0.79) CTSBCTSK
SCHEMBL14563177 0.88 CTSK (0.77) CTSBCTSK
SCHEMBL14563140 0.88 CTSK (0.79) CTSBCTSKBAZ2B
SCHEMBL2244605 0.88 CTSB (1.00) CTSBCTSKCTSS
SCHEMBL14563155 0.87 CTSK (0.79) CTSBCTSKBAZ2B
SCHEMBL14563247 0.86 CTSK (0.59) CTSBCTSKCTSS
SCHEMBL14563123 0.84 CTSK (0.78) CTSBCTSK

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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