SCHEMBL6554718

SCHEMBL6554718

Cc1ccc(OC(CCN(C)C)c2ccccc2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.50
SLC6A4 P31645 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 1/20 0.45
UTS2R Q9UKP6 1/20 0.45
NOS2 P35228 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Lactic Acid SCHEMBL5311074 0.91 SLC6A9 (0.51) SLC6A9KDM4EUTS2R
SCHEMBL17280823 0.81 SLC7A5 (0.50) SLC6A4NOS2MAPTRAB9AATM
SCHEMBL17280836 0.80 SLC7A5 (0.49) SLC6A4NOS2MAPTRAB9AATM
SCHEMBL685134 0.77 SLC6A4 (0.70) SLC6A9SLC6A4HRH3HTR2AHRH1
SCHEMBL8197707 0.77 CYP2D6 (0.64) SLC6A9SLC6A4HRH3UTS2RHTR2A
SCHEMBL3894545 0.77 CYP2D6 (0.64) SLC6A9SLC6A4HRH3UTS2RHTR2A
SCHEMBL7053968 0.77 NOS2 (0.44) SLC6A4NOS2MAPTRAB9AATM
SCHEMBL7582978 0.77 NOS2 (0.56) SLC6A9SLC6A4HRH3NOS2HTR2A
Maleic Acid SCHEMBL7316880 0.76 SLC6A9 (0.65) SLC6A9KDM4ENOS2RAB9A
Fumaric Acid SCHEMBL7316884 0.76 SLC6A9 (0.65) SLC6A9KDM4ENOS2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487460-A2 GLYCURONAMIDES, GLYCOSIDES AND ORTHOESTER GLYCOSIDES OF FLUOXETINE, ANALOGS AND USES THEREOF A & D Bioscience, Inc. (US) 2004-12-22 EP disclosed
WO-2003073988-A2 GLYCURONAMIDES, GLYCOSIDES AND ORTHOESTER GLYCOSIDES OF FLUOXETINE, ANALOGS AND USES THEREOF A & D BIOSCIENCE, INC. (US) 2003-09-12 WO disclosed