SCHEMBL14528136

SCHEMBL14528136

C=CCCOC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
AOC3 Q16853 1/20 0.37
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL14607854 0.78 IDO1 (0.53) IDO1TDO2AOC3
SCHEMBL2336595 0.78 IDO1 (0.51) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL14607856 0.74 IDO1 (0.45) IDO1TDO2AOC3
SCHEMBL14528133 0.74 IDO1 (0.61) IDO1TDO2
SCHEMBL14607959 0.74 IDO1 (0.57) IDO1TDO2
SCHEMBL25264955 0.72 IDO1 (0.39) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL30414866 0.72 IDO1 (0.39) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL25189449 0.72 IDO1 (0.39) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL28595236 0.70 HDAC4 (0.40) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL5540257 0.70 IDO1 (0.51) IDO1TDO2AOC3HDAC4HDAC7

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-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed