SCHEMBL6209824

SCHEMBL6209824

COc1ccc(C(=O)NCCCCC(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
NAMPT P43490 2/20 0.47
CXCR3 P49682 1/20 0.44
PTAFR P25105 3/20 0.44
LMNA P02545 2/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNQ1 P51787 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DRD3 P35462 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL6211364 0.92 DPP4 (0.45) DPP4NAMPTPTAFRLMNAKMT2A
SCHEMBL6258369 0.91 LMNA (0.44) DPP4NAMPTCXCR3LMNAALDH1A1
SCHEMBL6212946 0.90 RAB9A (0.47) DPP4NAMPTLMNAKMT2AMEN1
SCHEMBL6211394 0.90 LMNA (0.40) DPP4NAMPTPTAFRLMNAKMT2A
SCHEMBL6212587 0.90 NAMPT (0.42) DPP4NAMPTLMNAALDH1A1DRD3
SCHEMBL5941964 0.88 PKM (0.38) DPP4NAMPTLMNAALDH1A1TSHR
SCHEMBL6209651 0.88 LMNA (0.42) DPP4NAMPTCXCR3LMNACHRNB4
SCHEMBL6259546 0.87 ALDH1A1 (0.46) NAMPTLMNAALDH1A1MAPTTSHR
SCHEMBL6209890 0.85 DPP4 (0.37) DPP4NAMPTPTAFRLMNAALDH1A1
SCHEMBL6212092 0.81 PREP (0.48) DPP4NAMPTLMNAGAAALDH1A1

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