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SCHEMBL4002864

SCHEMBL4002864

N#Cc1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1.O=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccc(Cl)cc1.O=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1cccc(C(F)(F)F)c1.O=C(CNC(=O)c1ccccc1)NC(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 16/20 0.75
▸ SLC6A5 Q9Y345 10/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ GPR139 Q6DWJ6 3/20 0.51

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
SCHEMBL2008680 0.91 SLC6A9 (0.85) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2012439 0.91 SLC6A9 (0.78) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2009265 0.87 SLC6A9 (1.00) SLC6A9SLC6A5GPR139
SCHEMBL2008251 0.86 SLC6A9 (0.94) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2009186 0.85 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL3998453 0.84 SLC6A9 (0.73) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2005249 0.83 SLC6A9 (0.87) SLC6A9SLC6A5GPR139
SCHEMBL2007816 0.82 SLC6A9 (0.84) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2007124 0.82 SLC6A9 (0.84) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2012516 0.82 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139

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 4 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 claimed
WO-2008022938-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 — — WO claimed
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