SCHEMBL8266809

SCHEMBL8266809

CNC1(C(NC(=O)c2cccc(CF)c2Cl)c2ccccc2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.45
GPR139 Q6DWJ6 2/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL8266497 0.84 SLC6A9 (0.44) SLC6A9GPR139CYP3A4CYP2D6CYP2C9
SCHEMBL3239482 0.83 SLC6A9 (0.62) SLC6A9
SCHEMBL13303748 0.76 SLC6A9 (0.48) SLC6A9
SCHEMBL5014899 0.75 SLC6A9 (0.59) SLC6A9
SCHEMBL3238634 0.74 SLC6A9 (0.59) SLC6A9
SCHEMBL3239804 0.71 SLC6A9 (0.47) SLC6A9
SCHEMBL631883 0.71 SLC6A9 (0.64) SLC6A9GPR139CYP3A4CYP2D6CYP2C9
SCHEMBL3244891 0.70 SLC6A9 (0.59) SLC6A9GPR139TAS1R3TAS1R1TAS1R2
SCHEMBL3245146 0.70 SLC6A9 (0.58) SLC6A9
SCHEMBL3230692 0.70 SLC6A9 (0.48) SLC6A9TAS1R3TAS1R1TAS1R2

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
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed