SCHEMBL4002173

SCHEMBL4002173

O=C(CCNC(=O)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.81
SLC6A5 Q9Y345 6/20 0.59
GPR139 Q6DWJ6 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL4002174 1.00 SLC6A9 (0.81) SLC6A9SLC6A5GPR139KDM4EHDAC8
SCHEMBL2009265 0.89 SLC6A9 (1.00) SLC6A9SLC6A5GPR139HTTL3MBTL1
SCHEMBL2008251 0.86 SLC6A9 (0.94) SLC6A9SLC6A5GPR139HTTL3MBTL1
SCHEMBL2013065 0.83 SLC6A9 (0.88) SLC6A9SLC6A5GPR139HTTL3MBTL1
SCHEMBL2005249 0.82 SLC6A9 (0.87) SLC6A9SLC6A5GPR139KDM4EHTT
SCHEMBL2008680 0.82 SLC6A9 (0.85) SLC6A9SLC6A5GPR139
SCHEMBL2007906 0.82 SLC6A9 (0.85) SLC6A9SLC6A5GPR139
SCHEMBL2009566 0.79 SLC6A9 (0.80) SLC6A9SLC6A5GPR139ALDH1A1
SCHEMBL2011839 0.79 SLC6A9 (0.80) SLC6A9SLC6A5GPR139ALDH1A1
SCHEMBL2011783 0.79 SLC6A9 (0.67) SLC6A9SLC6A5GPR139HTTALDH1A1

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-2066620-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
WO-2008022938-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 WO disclosed