SCHEMBL13730289

SCHEMBL13730289

[2H]C([2H])CCC(N)COc1cc(F)cc(S(C)(=O)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.35
▸ TRPV4 Q9HBA0 8/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ NR1H2 P55055 3/20 0.32
▸ NR1H3 Q13133 3/20 0.32
▸ LOX P28300 1/20 0.31
▸ KAT6A Q92794 1/20 0.31
▸ NAMPT P43490 1/20 0.30
▸ EPAS1 Q99814 1/20 0.30

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
SCHEMBL13732234 0.83 GBA1 (0.38) GBA1TRPV4DPP4NR1H2NR1H3
SCHEMBL30807872 0.75 GBA1 (0.41) GBA1DPP4NR1H2NR1H3LOX
SCHEMBL13730850 0.74 LMNA (0.41) GBA1NR1H2NR1H3LOXKAT6A
SCHEMBL13731094 0.71 LOX (0.39) GBA1NR1H2NR1H3LOXKAT6A
SCHEMBL13730423 0.71 NAMPT (0.34) GBA1NR1H2NR1H3LOXKAT6A
SCHEMBL25405123 0.70 EPAS1 (0.37) GBA1NR1H2NR1H3LOXKAT6A
SCHEMBL17530475 0.69 LOX (0.35) GBA1NR1H2NR1H3LOXEPAS1
SCHEMBL13731260 0.68 CYP4F2 (0.37) NR1H2NR1H3LOXKAT6AEPAS1
SCHEMBL13730672 0.68 EPAS1 (0.38) GBA1NR1H2NR1H3LOXKAT6A
SCHEMBL13731602 0.68 LOX (0.40) GBA1NR1H2NR1H3LOXKAT6A

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-2699543-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2014-02-26 — — EP claimed
WO-2012143337-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION NEUROSEARCH A/S (DK) 2012-10-26 — — WO claimed
EP-2699543-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2014-02-26 — — EP disclosed
WO-2012143337-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION NEUROSEARCH A/S (DK) 2012-10-26 — — WO disclosed
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