SCHEMBL4760948

SCHEMBL4760948

CC(CN(C)C)OC(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL8614667 0.83 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2A
SCHEMBL28516412 0.83 CTSL (0.53) UTS2R
SCHEMBL12111459 0.81 NPC1 (0.57) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL22372314 0.78 MAPT (0.53) UTS2RL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL20354607 0.78 KMT2A (0.53) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL22500487 0.78 CASP3 (0.57) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28614724 0.78 MCL1 (0.51) UTS2RL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL28603794 0.78 MCL1 (0.51) UTS2RL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL8495747 0.76
SCHEMBL18353030 0.76 MAPT (0.53) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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
JP-2008150322-A DIMETHYLAMINOPROPANOL DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING BETHANECHOL HALIDE USING THE SAME DERIVATIVE TOKUYAMA CORP 2008-07-03 JP disclosed