SCHEMBL3989548

SCHEMBL3989548

CC(C=O)N(C(=O)OC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
KDM1A O60341 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
GRM2 Q14416 1/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL2791431 0.86 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL6295154 0.86 SLC6A3 (0.34) KMT2AMEN1CTSK
SCHEMBL2791434 0.86 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL8539792 0.85 SMN1; SMN2 (0.40) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL4324066 0.84 TRPM8 (0.40) ALDH1A1MAPTTSHRLMNANPSR1
SCHEMBL4324062 0.84 TRPM8 (0.40) ALDH1A1MAPTTSHRLMNANPSR1
SCHEMBL4381548 0.83 GPR119 (0.35) ALDH1A1MAPT
SCHEMBL4381546 0.83 GPR119 (0.35) ALDH1A1MAPT
SCHEMBL10521236 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL5846260 0.81 KMT2A (0.40) KMT2AMEN1KCNQ4KCNQ5MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed