SCHEMBL4443509

SCHEMBL4443509

[2H]C([2H])(C(=O)O)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.45
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
SCN9A Q15858 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL950735 0.94 GCGR (0.42) GCGRALDH1A1HTTCYP2C9PSEN1
SCHEMBL4229216 0.86 GCGR (0.47) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4223386 0.85 GCGR (0.45) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4230837 0.81 GCGR (0.44) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4230649 0.80 GCGR (0.42) GCGRALDH1A1HTTMAPTTP53
SCHEMBL950810 0.75 ALDH1A1 (0.56) GCGRALDH1A1HTTMAPTTP53
SCHEMBL950280 0.74 ALDH1A1 (0.55) GCGRALDH1A1HTTMAPTTP53
SCHEMBL950281 0.72 GCGR (0.37) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL4598474 0.72 MAPT (0.39) GCGRALDH1A1HTTMAPTTP53
SCHEMBL949981 0.70 ALDH1A1 (0.55) GCGRALDH1A1HTTMAPTTP53

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-2121625-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092879-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed