SCHEMBL6209599

SCHEMBL6209599

C=Cc1ccc(C(=O)NCCCCC(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccc[nH]c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 1/20 0.36
PLD1 Q13393 1/20 0.36
DPP4 P27487 10/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TGM2 P21980 4/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NAMPT P43490 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31

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
SCHEMBL6210471 0.88 LMNA (0.40) DPP4HDAC6NAMPT
SCHEMBL6209503 0.87 DPP4 (0.41) DPP4DRD2DRD3
SCHEMBL6211156 0.85 CHRM4 (0.41) DPP4DRD2DRD4DRD3HDAC1
SCHEMBL6210990 0.84 DPP4 (0.38) PLD2PLD1DPP4DRD2DRD4
SCHEMBL5941964 0.82 PKM (0.38) DPP4DRD3NAMPT
SCHEMBL6209845 0.80 DPP4 (0.30) DPP4
SCHEMBL6210886 0.79 DPP4 (0.37) PLD2PLD1DPP4DRD2DRD4
SCHEMBL6211236 0.75 PTAFR (0.40) PLD2PLD1DRD2DRD3HDAC1
SCHEMBL6209350 0.75 NAMPT (0.40) PLD2PLD1DPP4DRD2DRD4
SCHEMBL6210045 0.74 DPP4 (0.46) DPP4HDAC1HDAC8TMEM97

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