SCHEMBL14563177

SCHEMBL14563177

N#CC1(NC(=O)O)CC1.O=C(C1CCCCC1)N1CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 17/20 0.77
▸ CTSB P07858 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55

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
SCHEMBL14563201 0.88 CTSB (0.78) CTSKCTSB
SCHEMBL14563104 0.88 CTSK (0.78) CTSKCTSB
SCHEMBL14563165 0.88 CTSK (0.78) CTSKCTSB
SCHEMBL14563182 0.88 CTSK (0.64) CTSKCTSB
SCHEMBL14563097 0.87 CTSK (0.79) CTSKCTSB
SCHEMBL14563166 0.87 CTSK (0.67) CTSKCTSB
SCHEMBL14563157 0.87 CTSK (0.79) CTSKCTSB
SCHEMBL14563111 0.87 CTSK (0.78) CTSKCTSB
SCHEMBL14563135 0.87 CTSK (0.79) CTSKCTSB
SCHEMBL2241261 0.87 CTSK (1.00) 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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