SCHEMBL7985189

SCHEMBL7985189

O[C@@H](CCN1CCCC1)c1ccc(OCCCCF)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LTA4H P09960 3/20 0.53
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL29204593 0.85 HRH3 (0.62) HRH3MEN1KMT2ALTA4HLMNA
SCHEMBL7996881 0.85 LTA4H (0.65) HRH3MEN1KMT2ALTA4HALDH1A1
SCHEMBL7917489 0.85 HRH3 (0.55) HRH3MEN1KMT2ALTA4HLMNA
SCHEMBL21663340 0.85 LTA4H (0.67) HRH3MEN1KMT2ALTA4HLMNA
SCHEMBL13493022 0.84 HRH3 (0.57) HRH3MEN1KMT2ALTA4HPSMB1
Hydrochloric Acid SCHEMBL29204587 0.84 HRH3 (0.60) HRH3MEN1KMT2ALTA4HLMNA
SCHEMBL7994498 0.84 HRH3 (0.51) HRH3MEN1KMT2ALTA4HALDH1A1
SCHEMBL19043467 0.81 MEN1 (0.58) HRH3MEN1KMT2ALTA4HLMNA
SCHEMBL7928593 0.81 MEN1 (0.58) HRH3MEN1KMT2ALTA4HLMNA
SCHEMBL19043542 0.80 HRH3 (0.52) HRH3MEN1KMT2ALTA4HHTT

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-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO disclosed