SCHEMBL30874657

SCHEMBL30874657

CC(O)CNc1ccc(N2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 5/20 0.58
GAA P10253 4/20 0.58
ALOX12 P18054 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALOX15 P16050 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
TP53 P04637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
RPS6KA3 P51812 1/20 0.48
RPS6KA2 Q15349 1/20 0.48
ATM Q13315 1/20 0.46

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
SCHEMBL23960525 0.87 MAPT (0.61) MAPTALDH1A1GAAALOX12L3MBTL1
SCHEMBL30874694 0.86 MAPT (0.53) MAPTALDH1A1GAAALOX12L3MBTL1
SCHEMBL13624250 0.84 MAPT (0.58) MAPTALDH1A1GAAALOX12L3MBTL1
SCHEMBL28143501 0.82 MAPT (0.49) MAPTALDH1A1GAAALOX12L3MBTL1
SCHEMBL19647423 0.79 F10 (0.53)
SCHEMBL4368258 0.79 GAA (0.52) MAPTALDH1A1GAAALOX12L3MBTL1
SCHEMBL4368253 0.79 GAA (0.52) MAPTALDH1A1GAAALOX12L3MBTL1
SCHEMBL4368142 0.78 GAA (0.62) MAPTALDH1A1GAAALOX12L3MBTL1
SCHEMBL14022834 0.78 MAPT (0.58) MAPTALDH1A1GAAALOX12L3MBTL1
SCHEMBL4891787 0.78 MAPT (0.58) MAPTALDH1A1GAAALOX12L3MBTL1

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
CN-117886779-A Piperazine alcohol compound with chiral hydroxyl, preparation method and medical application thereof 徐州医科大学 2024-04-16 CN disclosed