SCHEMBL7994498

SCHEMBL7994498

O[C@H]1CCN(CC[C@H](O)c2ccc(OCCCCF)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.51
HRH2 P25021 4/20 0.51
HRH1 P35367 4/20 0.51
LTA4H P09960 1/20 0.50
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PDK2 Q15119 2/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL7985957 0.87 RAB9A (0.53) HRH3HRH2HRH1LTA4HMEN1
SCHEMBL7985189 0.84 HRH3 (0.57) HRH3LTA4HMEN1ALDH1A1KMT2A
SCHEMBL7922904 0.81 LTA4H (0.58) HRH3HRH2HRH1LTA4HMEN1
SCHEMBL13108426 0.81 HRH3 (0.43) HRH3HRH2HRH1LTA4HMEN1
SCHEMBL7998333 0.78 LTA4H (0.43) HRH3HRH2HRH1LTA4HALDH1A1
SCHEMBL20029250 0.74 UGCG (0.44) MEN1CYP2D6KMT2A
SCHEMBL19287586 0.73 HRH3 (0.37) HRH3HRH2HRH1LTA4HMEN1
SCHEMBL17937331 0.73 MEN1 (0.45) LTA4HMEN1ALDH1A1KMT2A
SCHEMBL5544810 0.72 LTA4H (0.69) HRH3HRH2HRH1LTA4HALDH1A1
SCHEMBL13980797 0.71 LTA4H (0.67) HRH3HRH2HRH1LTA4HMEN1

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-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP disclosed
WO-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed