SCHEMBL7922904

SCHEMBL7922904

O[C@H]1CCN(CCCc2ccc(OCCCCF)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
HRH3 Q9Y5N1 16/20 0.56
HRH2 P25021 4/20 0.56
HRH1 P35367 4/20 0.56
ACHE P22303 1/20 0.52
GRIN2B Q13224 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2D6 P10635 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL19043506 0.88 HRH3 (0.60) LTA4HHRH3GRIN2B
SCHEMBL7917842 0.88 HRH3 (0.60) LTA4HHRH3GRIN2B
SCHEMBL13493053 0.87 RAB9A (0.62) LTA4HHRH3HRH2HRH1ACHE
SCHEMBL7994498 0.81 HRH3 (0.51) LTA4HHRH3HRH2HRH1ACHE
SCHEMBL6796838 0.81 SIGMAR1 (0.57) LTA4HHRH3HRH2HRH1GRIN2B
SCHEMBL6796835 0.81 SIGMAR1 (0.57) LTA4HHRH3HRH2HRH1GRIN2B
SCHEMBL7927897 0.80 HRH3 (0.76) LTA4HHRH3ACHEMEN1KMT2A
SCHEMBL19042296 0.79 HRH3 (0.74) LTA4HHRH3ACHEMEN1KMT2A
SCHEMBL19043574 0.79 HRH3 (0.79) HRH3ACHEMEN1KMT2A
SCHEMBL7998015 0.78 LTA4H (0.48) LTA4HHRH3HRH2HRH1ACHE

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 3 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-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 WO disclosed
WO-2010014554-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORPORATION (US) 2010-02-04 WO disclosed