SCHEMBL4787927

SCHEMBL4787927

N#CC1(C2(C(N)=O)CCCCC2C(=O)N2CCc3c(F)cccc3C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.39
▸ KEAP1 Q14145 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ HTR5A P47898 1/20 0.35
▸ DPP4 P27487 3/20 0.35
▸ GAA P10253 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ DPP8 Q6V1X1 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ CPT2 P23786 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL4789292 0.90 NAMPT (0.38) CTSKKEAP1CTSLCTSBCTSS
SCHEMBL4789865 0.86 KEAP1 (0.51) CTSKKEAP1CTSLCTSBCTSS
SCHEMBL4788689 0.77 PDE4B (0.46) DPP4DPP8DPP7
SCHEMBL4790305 0.76 USP30 (0.41) CTSKKEAP1CTSLCTSBCTSS
SCHEMBL4789901 0.74 HDAC6 (0.38) CTSKKEAP1CTSLCTSBCTSS
SCHEMBL4787930 0.73 CTSK (0.69) CTSKCTSBCTSS
SCHEMBL3264278 0.70 CTSK (0.48) CTSKCTSBCTSS
SCHEMBL4789696 0.70 DPP8 (0.38) CTSKKEAP1CTSLCTSBCTSS
SCHEMBL4584329 0.69 HRH3 (0.40) L3MBTL1
SCHEMBL4573371 0.69 HSD11B1 (0.48) DPP4DPP8KDM4ETDP1

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
WO-2009001128-A1 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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