SCHEMBL30226901

SCHEMBL30226901

CC(=O)NC[C@H](O)CNc1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAOA P21397 1/20 0.52
PTGS1 P23219 1/20 0.52
MAOB P27338 1/20 0.52
CALML3 P27482 1/20 0.52
SDHA P31040 1/20 0.52
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 1/20 0.47
GAA P10253 5/20 0.46
ALOX15 P16050 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 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
SCHEMBL15440582 1.00 LMNA (0.52) LMNAMAOAPTGS1MAOBCALML3
SCHEMBL16189751 0.86 NPC1 (0.50) LMNAMAOAPTGS1MAOBCALML3
SCHEMBL16393619 0.86 HTT (0.50) LMNAMAOAPTGS1MAOBCALML3
SCHEMBL15618724 0.84 HTT (0.49) LMNAHTTL3MBTL1NPC1RAB9A
SCHEMBL2867969 0.84 HTT (0.49) LMNAHTTL3MBTL1NPC1RAB9A
SCHEMBL23030168 0.84 HTT (0.49) LMNAHTTL3MBTL1NPC1RAB9A
SCHEMBL15623485 0.84 HTT (0.49) LMNAHTTL3MBTL1NPC1RAB9A
SCHEMBL12126890 0.84 HTT (0.49) LMNAHTTL3MBTL1NPC1RAB9A
SCHEMBL5417803 0.84 HTT (0.49) LMNAHTTL3MBTL1NPC1RAB9A
SCHEMBL28998621 0.83 HTT (0.48) LMNAHTTL3MBTL1NPC1RAB9A

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-115902018-A Detection method of linezolid isomer 江苏晨牌药业集团股份有限公司 2023-04-04 CN disclosed