SCHEMBL9688262

SCHEMBL9688262

CC(=O)c1[nH]c2ccccc2c1CN(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
CYP3A4 P08684 1/20 0.61
HTR6 P50406 3/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1F P30939 1/20 0.51
HTR7 P34969 1/20 0.51
DRD3 P35462 1/20 0.51
FOLH1 Q04609 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL9816424 0.88 FOLH1 (0.66) MAPTCYP3A4HTR6HTR1ADRD2
SCHEMBL9501275 0.84 HTR6 (0.57) MAPTCYP3A4HTR6HTR1ADRD2
SCHEMBL21808612 0.81 KDM4E (0.51) MAPTHTR6FOLH1KDM4EALDH1A1
SCHEMBL29756470 0.81 KDM4E (0.51) MAPTHTR6FOLH1KDM4EALDH1A1
SCHEMBL6215070 0.78 KDM4E (0.47) MAPTCYP3A4HTR6FOLH1KDM4E
SCHEMBL6141995 0.77 GAA (0.50) MAPTCYP3A4HTR6HTR1ADRD2
2-Methyl Gramine SCHEMBL2519973 0.76 MAPT (1.00) MAPTCYP3A4HTR6KDM4EALDH1A1
SCHEMBL6947949 0.75 MTNR1A (0.64) MAPTCYP3A4FOLH1KDM4EALDH1A1
SCHEMBL4905844 0.74 SCN9A (0.56) MAPTHTR6HTR1ADRD2DRD4
SCHEMBL4906035 0.74 KDM4E (0.51) MAPTHTR6FOLH1KDM4EALDH1A1

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
US-5159080-A Treatment of heart-circulation disorders MADAUS AG (DE) 1992-10-27 US disclosed