SCHEMBL6209960

SCHEMBL6209960

CC(CC(N)=O)CC(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.39
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 2/20 0.35
DPP9 Q86TI2 1/20 0.35
SNRNP200 O75643 5/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34
SIRT5 Q9NXA8 1/20 0.33
EPHX2 P34913 1/20 0.33
RBP4 P02753 1/20 0.33
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6211132 0.85 CTSK (0.52) CTSKCTSSDPP4ALDH1A1
SCHEMBL6210237 0.85 DPP4 (0.34) CTSKDPP4DPP9
SCHEMBL6210331 0.84 L3MBTL1 (0.40) CTSKCTSLCTSSL3MBTL1ADRA1D
SCHEMBL6209532 0.83 CTSK (0.39) CTSKCTSLCTSSL3MBTL1ADRA1D
SCHEMBL6210484 0.81 CTSL (0.39) CTSKCTSLCTSS
SCHEMBL4040770 0.81 CTSK (0.48) CTSKCTSLCTSSL3MBTL1DPP4
SCHEMBL6210619 0.81 KMT2A (0.45) CTSKCTSLCTSSDPP4EPHX2
SCHEMBL6209876 0.80 CTSK (0.42) CTSKCTSLCTSSEPHX2NAMPT
SCHEMBL4040766 0.80 CTSK (0.40) CTSKCTSLCTSSL3MBTL1SNRNP200
SCHEMBL6210442 0.80 CTSK (0.52) CTSKCTSLCTSSALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed