SCHEMBL17847613

SCHEMBL17847613

O=C(O)N1CCc2oc(=O)cc(OS(=O)(=O)C(F)(F)F)c2C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.34
HSD11B1 P28845 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 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
SCHEMBL17865171 0.87 ESR2 (0.40) PTGDR2
SCHEMBL17844950 0.77 MAOA (0.35) HTR6HSD11B1DRD2DRD1DRD4
SCHEMBL17847583 0.74 ERN1 (0.36) HTR6DRD4
SCHEMBL29236997 0.74
SCHEMBL17844924 0.74 DRD2 (0.33) HTR6HSD11B1DRD2DRD1DRD4
SCHEMBL21354115 0.73 MTHFD2 (0.39) DRD4
SCHEMBL31535207 0.71 MTHFD2 (0.51)
SCHEMBL21354142 0.71 MTHFD2 (0.51)
SCHEMBL29168627 0.71 ABHD6 (0.42) DRD2DRD3
SCHEMBL22466190 0.70 MAPK1 (0.51)

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-3233826-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed