SCHEMBL7998697

SCHEMBL7998697

COc1ccc([C@@H](O)CCN2CCCC2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.52
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A3 Q01959 1/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GFER P55789 1/20 0.43

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
SCHEMBL24045407 0.85 HTR1A (0.51) HTR1AMAPK1KDM4EMAPTMEN1
SCHEMBL21729342 0.83 SMN1; SMN2 (0.51) HTR1AMAPK1KDM4EMAPTMEN1
SCHEMBL13108748 0.79 KDM4E (0.59) HTR1AMAPK1KDM4EMAPTMEN1
SCHEMBL13342872 0.79 HTR1A (0.65) HTR1AMAPK1KDM4EMAPTMEN1
SCHEMBL20382528 0.79 HTR1A (0.65) HTR1AMAPK1KDM4EMAPTMEN1
SCHEMBL8106834 0.79 HTR1A (0.65) HTR1AMAPK1KDM4EMAPTMEN1
SCHEMBL7995727 0.78 ALDH1A1 (0.45) HTR1AMEN1KMT2ASLC6A4SLC6A3
SCHEMBL23732090 0.75 SLC6A2 (0.45) HTR1AMEN1KMT2ASLC6A2SLC6A4
SCHEMBL19043634 0.74 HTR1A (0.56) HTR1A
SCHEMBL7985198 0.74 MAPT (0.50) HTR1AMAPK1KDM4EMAPTMEN1

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-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed