SCHEMBL1701017

SCHEMBL1701017

[CH2]C(=O)c1ccc(C(=O)OCCN(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.71
ALDH1A1 P00352 3/20 0.63
MAPT P10636 1/20 0.63
GAA P10253 1/20 0.58
LMNA P02545 3/20 0.57
MAOA P21397 2/20 0.57
HRH3 Q9Y5N1 2/20 0.57
SCN1A P35498 2/20 0.57
SCN2A Q99250 2/20 0.57
SCN3A Q9NY46 2/20 0.57
CYP1A2 P05177 1/20 0.57
CNR1 P21554 1/20 0.57
DRD4 P21917 1/20 0.57
ACHE P22303 1/20 0.57
HRH2 P25021 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
MAPK1 P28482 1/20 0.57
NTSR1 P30989 1/20 0.57
HRH1 P35367 1/20 0.57

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
SCHEMBL8963488 0.91 PHLPP2 (0.83) PHLPP2ALDH1A1MAPTGAALMNA
SCHEMBL8487897 0.86 PHLPP2 (0.71) PHLPP2ALDH1A1MAPTGAALMNA
SCHEMBL1107147 0.84 PHLPP2 (0.73) PHLPP2ALDH1A1MAPTGAALMNA
SCHEMBL8963375 0.84 PHLPP2 (0.73) PHLPP2ALDH1A1MAPTGAALMNA
SCHEMBL8639938 0.84 PHLPP2 (0.73) PHLPP2ALDH1A1MAPTGAALMNA
SCHEMBL10777193 0.83 PHLPP2 (0.71) PHLPP2ALDH1A1MAPTGAALMNA
SCHEMBL34468111 0.83 PHLPP2 (0.71) PHLPP2ALDH1A1MAPTGAALMNA
SCHEMBL4835480 0.83 PHLPP2 (1.00) PHLPP2ALDH1A1MAPTGAALMNA
SCHEMBL9481715 0.83 GAA (0.82) PHLPP2ALDH1A1MAPTGAALMNA
SCHEMBL65544 0.82 PHLPP2 (0.70) PHLPP2ALDH1A1MAPTGAALMNA

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
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed