SCHEMBL8460577

SCHEMBL8460577

C[C@H](Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
DAO P14920 1/20 0.49
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
HTR2C P28335 2/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
ACP3 P15309 2/20 0.47
CES2 O00748 1/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX1 P07099 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HSD11B1 P28845 1/20 0.43
SLC6A4 P31645 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL6705910 1.00 PNMT (0.51) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL8463699 1.00 PNMT (0.51) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL156737 0.84 DAO (0.53) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL5822087 0.84 PNMT (0.51) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL5822094 0.84 PNMT (0.51) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL4601149 0.83 PNMT (0.55) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL4139253 0.83 PNMT (0.55) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL2601113 0.83 DAO (0.59) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL255035 0.83 PNMT (0.55) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL23343776 0.82 PNMT (0.53) PNMTDAOHTR2AHTR2BHTR2C

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
EP-0949243-A1 OPTICALLY ACTIVE METHOXYIMINOACETAMIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM, INTERMEDIATES THEREFOR, AND PESTICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT MITSUBISHI CHEMICAL CORPORATION (JP) 1999-10-13 EP disclosed