SCHEMBL6748819

SCHEMBL6748819

O=C(NCCCc1ccc(CCCNC(=O)OCc2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.72
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TGM2 P21980 1/20 0.63
KEAP1 Q14145 2/20 0.62
NFE2L2 Q16236 2/20 0.62
L3MBTL1 Q9Y468 3/20 0.58
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
MAPT P10636 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
EPHX2 P34913 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55

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
SCHEMBL13895513 0.98 HTT (0.74) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL7276818 0.95 HTT (0.67) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6715818 0.94 HTT (0.65) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6565064 0.93 HTT (0.63) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL5463797 0.93 HTT (0.63) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL917677 0.91 HTT (0.65) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16808349 0.90 HTT (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16804702 0.90 HTT (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.90 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL30605297 0.90 HTT (0.63) HTTLMNASMN1; SMN2TGM2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed