SCHEMBL6208973

SCHEMBL6208973

NC(=O)CCCC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.35
ALDH1A1 P00352 3/20 0.35
DPP4 P27487 2/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
HPGD P15428 1/20 0.34
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
SARM1 Q6SZW1 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
SIRT4 Q9Y6E7 1/20 0.33
NAMPT P43490 2/20 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
SCHEMBL4040334 0.87 TBXAS1 (0.36) TBXAS1ALDH1A1DPP4PREPFAP
SCHEMBL6209880 0.86 PREP (0.35) ALDH1A1DPP4PREPFAPDPP8
SCHEMBL6208880 0.86 KDM4E (0.42) ALDH1A1HPGDMAPK1
SCHEMBL6210370 0.84 FKBP1A (0.41) ALDH1A1VNN1
SCHEMBL6209760 0.83 MT-CO2 (0.33) DPP4L3MBTL1NAMPT
SCHEMBL4044516 0.80 CNR2 (0.35) ALDH1A1DPP4PREPFAPDPP8
SCHEMBL4043173 0.79 MAPK1 (0.33) ALDH1A1DPP4PREPFAPDPP8
SCHEMBL4040282 0.79 PIK3CD (0.35) ALDH1A1DPP4PREPFAPDPP8
SCHEMBL6240091 0.79 PREP (0.37) ALDH1A1DPP4PREPFAPDPP8
SCHEMBL6209393 0.77 CTSL (0.36)

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