SCHEMBL8464360

SCHEMBL8464360

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.61
TDO2 P48775 3/20 0.61
PNMT P11086 1/20 0.51
HTR2C P28335 4/20 0.49
HTR2B P41595 4/20 0.49
HTR2A P28223 2/20 0.49
SLC6A4 P31645 6/20 0.48
TACR1 P25103 1/20 0.47
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR6 P50406 2/20 0.44
CES2 O00748 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACP3 P15309 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
SCHEMBL8460159 1.00 IDO1 (0.61) IDO1TDO2PNMTHTR2CHTR2B
SCHEMBL8410943 1.00 IDO1 (0.61) IDO1TDO2PNMTHTR2CHTR2B
Cadaverine Tartrate SCHEMBL8448124 0.87 IDO1 (0.52) IDO1TDO2PNMTCES2NPSR1
SCHEMBL7078329 0.84 IDO1 (0.50) IDO1TDO2PNMTHTR2CHTR2B
SCHEMBL334964 0.79 HTR2A (0.58) IDO1TDO2PNMTHTR2CHTR2B
SCHEMBL29504910 0.79 HTR2A (0.58) IDO1TDO2PNMTHTR2CHTR2B
SCHEMBL1728826 0.79 HTR2A (0.58) IDO1TDO2PNMTHTR2CHTR2B
SCHEMBL40102 0.79 HTR2A (0.58) IDO1TDO2PNMTHTR2CHTR2B
SCHEMBL514285 0.79 EPHX1 (0.49) IDO1TDO2PNMTHTR2CHTR2B
SCHEMBL255035 0.79 PNMT (0.55) IDO1TDO2PNMTHTR2CHTR2B

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