SCHEMBL8212935

SCHEMBL8212935

FC(F)(F)c1ccc(-c2cccc(C[C@@H]3CCCCN3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
LTA4H P09960 3/20 0.48
AGXT P21549 1/20 0.48
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MGLL Q99685 1/20 0.41
FFAR1 O14842 1/20 0.40
SSTR2 P30874 1/20 0.40
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR6 P50406 2/20 0.38

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
SCHEMBL3347781 0.85 POLB (0.60) POLBLTA4HDRD2DRD3MEN1
SCHEMBL3645245 0.85 POLB (0.60) POLBLTA4HDRD2DRD3MEN1
SCHEMBL8220698 0.83 POLB (0.57) POLBLTA4HDRD2DRD3SSTR2
SCHEMBL8269038 0.82 POLB (0.63) POLBLTA4HDRD2DRD3SCN9A
SCHEMBL10132521 0.81 POLB (0.54) POLBDRD2DRD3MEN1GAA
SCHEMBL8220385 0.79 POLB (0.52) POLBLTA4HSSTR2
SCHEMBL8222114 0.79 LTA4H (0.57) POLBLTA4HDRD2FFAR1SSTR2
SCHEMBL10132546 0.78 POLB (0.56) POLBLTA4HHTR6
SCHEMBL22456442 0.78 POLB (0.56) POLBLTA4HHTR6
SCHEMBL8221615 0.76 POLB (0.51) POLBSSTR2

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed