SCHEMBL8107620

SCHEMBL8107620

c1ccc(OCCCOc2ccc(CCCN3CCCC3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.75
LTA4H P09960 5/20 0.73
HRH1 P35367 1/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
KCNH2 Q12809 1/20 0.64

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
SCHEMBL7999188 0.97 HRH3 (0.75) HRH3LTA4HHRH1KDM4EALDH1A1
SCHEMBL11258501 0.88 LTA4H (0.83) HRH3LTA4HKDM4EALDH1A1KCNH2
SCHEMBL8002632 0.87 HRH3 (0.73) HRH3LTA4HHRH1
SCHEMBL8114961 0.87 HRH3 (0.73) HRH3LTA4HALDH1A1
SCHEMBL7995012 0.87 HRH3 (0.83) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL19043356 0.87 HRH3 (0.76) HRH3LTA4H
SCHEMBL19043080 0.86 HRH3 (0.77) HRH3LTA4H
SCHEMBL492205 0.85 HRH3 (0.84) HRH3LTA4HHRH1KDM4EALDH1A1
SCHEMBL7397639 0.85 LTA4H (0.78) HRH3LTA4HHRH1KDM4EALDH1A1
SCHEMBL13493035 0.85 KDM4E (0.74) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2

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-2010014554-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORPORATION (US) 2010-02-04 WO disclosed
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO disclosed