SCHEMBL6748749

SCHEMBL6748749

O=C(NCCc1ccc(CCNC(=O)OCc2ccccc2)s1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.60
TGM2 P21980 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
MAPT P10636 1/20 0.51
IDO1 P14902 2/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
KAT2B Q92831 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.47
TDO2 P48775 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL2493347 0.90 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTTGM2L3MBTL1
Benzyl Phenethylcarbamate SCHEMBL4287199 0.85 LMNA (0.73) SMN1; SMN2LMNAHTTTGM2L3MBTL1
SCHEMBL6561674 0.85 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTTGM2L3MBTL1
SCHEMBL13055383 0.84 LMNA (0.80) SMN1; SMN2LMNAHTTTGM2L3MBTL1
Benzyl Phenethylcarbamate SCHEMBL6392045 0.81 LMNA (0.67) SMN1; SMN2LMNAHTTTGM2L3MBTL1
SCHEMBL6561678 0.81 LMNA (0.46) SMN1; SMN2LMNAHTTTGM2L3MBTL1
SCHEMBL18254066 0.80 HTT (0.81) SMN1; SMN2LMNAHTTTGM2L3MBTL1
SCHEMBL6554125 0.80 LMNA (0.65) SMN1; SMN2LMNAHTTTGM2L3MBTL1
SCHEMBL13895513 0.80 HTT (0.74) SMN1; SMN2LMNAHTTTGM2L3MBTL1
SCHEMBL375858 0.79 LMNA (0.73) SMN1; SMN2LMNAHTTTGM2L3MBTL1

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