SCHEMBL4655140

SCHEMBL4655140

[2H]N1C(=O)C(c2ccc(OC(F)(F)F)cc2)=NC12CCCCC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.46
PIM1 P11309 3/20 0.39
PIM2 Q9P1W9 1/20 0.39
NOTUM Q6P988 1/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 1/20 0.38
CES1 P23141 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
GALR1 P47211 1/20 0.37
PIP4K2A P48426 1/20 0.36
RAB9A P51151 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
SCHEMBL950279 0.87 POLB (0.64) POLBTSHRPIM1PIM2NOTUM
SCHEMBL4229295 0.84 PIM1 (0.38) POLBPIM1PIM2NOTUMCES1
SCHEMBL4443465 0.83 POLB (0.51) POLBTSHRPIM1PIM2NOTUM
SCHEMBL3570017 0.69 TSHR (0.67) POLBTSHRRAB9A
SCHEMBL953438 0.69 POLB (0.69) POLBTSHRRAB9A
SCHEMBL4599178 0.68 POLB (0.46) POLBTSHRRAB9A
SCHEMBL4522111 0.68 POLB (0.67) POLBTSHRRAB9A
SCHEMBL950042 0.68 POLB (0.71) POLBTSHRRAB9A
SCHEMBL950407 0.67 TDP2 (0.39) POLBTSHRPIM1PIM2NOTUM
SCHEMBL1839876 0.67 NOTUM (0.40) PIM1PIM2NOTUMSLC6A4SLC6A3

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-1994010-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2008-11-26 EP disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 WO disclosed