SCHEMBL6209890

SCHEMBL6209890

O=C(NCCCCC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)c1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.37
F10 P00742 1/20 0.37
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PTAFR P25105 1/20 0.35
LMNA P02545 1/20 0.34
NAMPT P43490 4/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
SMYD3 Q9H7B4 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
SCHEMBL6211238 0.88 MAPK14 (0.35) F10MAPK14ALDH1A1LMNAITGB3
SCHEMBL6211364 0.87 DPP4 (0.45) DPP4ALDH1A1PTAFRLMNANAMPT
SCHEMBL6212946 0.86 RAB9A (0.47) DPP4ALDH1A1LMNANAMPTSMYD3
SCHEMBL6211394 0.85 LMNA (0.40) DPP4ALDH1A1PTAFRLMNANAMPT
SCHEMBL5941964 0.85 PKM (0.38) DPP4ALDH1A1LMNANAMPTDRD3
SCHEMBL6209824 0.85 DPP4 (0.47) DPP4ALDH1A1PTAFRLMNANAMPT
SCHEMBL6212587 0.85 NAMPT (0.42) DPP4ALDH1A1LMNANAMPTDRD2
SCHEMBL6259546 0.84 ALDH1A1 (0.46) ALDH1A1LMNANAMPTDRD2DRD3
SCHEMBL6258369 0.83 LMNA (0.44) DPP4ALDH1A1LMNANAMPTDRD2
SCHEMBL6211397 0.78 SMYD3 (0.35) F10MAPK14ALDH1A1PTAFRLMNA

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 2 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 disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed