SCHEMBL6589388

SCHEMBL6589388

O=C(O)C(O)(c1ccccn1)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM3 P20309 10/20 0.45
CHRM2 P08172 6/20 0.45
CHRM1 P11229 4/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ABHD6 Q9BV23 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL6924068 0.94 KEAP1 (0.51) KEAP1NFE2L2SMN1; SMN2L3MBTL1CHRM3
SCHEMBL10696448 0.80 KEAP1 (0.44) KEAP1NFE2L2SMN1; SMN2L3MBTL1CHRM3
SCHEMBL10697581 0.79 KEAP1 (0.43) KEAP1NFE2L2SMN1; SMN2L3MBTL1CHRM3
SCHEMBL16500241 0.78 KEAP1 (0.49) KEAP1NFE2L2SMN1; SMN2L3MBTL1CHRM3
SCHEMBL415801 0.76 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2062949 0.76 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL418664 0.76 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL17490363 0.76 L3MBTL1 (0.50) KEAP1NFE2L2SMN1; SMN2L3MBTL1CHRM3
SCHEMBL18635455 0.76 SMN1; SMN2 (0.50) KEAP1NFE2L2SMN1; SMN2L3MBTL1CHRM3
SCHEMBL3909615 0.75 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed