SCHEMBL7985198

SCHEMBL7985198

Oc1ccc([C@@H](O)CCN2CCCC2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
TDP1 Q9NUW8 6/20 0.50
ADRB2 P07550 6/20 0.50
ADRB1 P08588 5/20 0.50
KDM4E B2RXH2 5/20 0.50
BLM P54132 4/20 0.50
ADRB3 P13945 4/20 0.50
MAPK1 P28482 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ADRA1D P25100 4/20 0.50
ADRA1A P35348 4/20 0.50
ADRA1B P35368 4/20 0.50
HPGD P15428 3/20 0.50
APEX1 P27695 3/20 0.50
RECQL P46063 3/20 0.50
ADORA3 P0DMS8 3/20 0.50
DRD2 P14416 3/20 0.50
CYP3A4 P08684 3/20 0.50
LMNA P02545 2/20 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
SCHEMBL7983037 0.81 GRIN2B (0.61) ADRA1DADRA1AADRA1BHTR1ATAAR1
SCHEMBL13024951 0.77 HTR1A (0.67) MEN1KMT2AHTR1ATSHRCYP1A2
SCHEMBL10540720 0.77 SIGMAR1 (0.55) MAPTTDP1ADRB2ADRB1KDM4E
SCHEMBL7357631 0.77 HTR1A (0.62) KDM4EDRD2HTR1ACYP1A2GAA
SCHEMBL8105223 0.77 HTR1A (0.62) MEN1KMT2AADRA1ADRD2CYP3A4
SCHEMBL23731758 0.76 MEN1 (0.44) TDP1KDM4EMEN1KMT2AHTR1A
SCHEMBL7995727 0.76 ALDH1A1 (0.45) MEN1KMT2ALMNAHTR1AALDH1A1
SCHEMBL7915849 0.76 KDM4E (0.54) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL8106605 0.76 KDM4E (0.54) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL7921588 0.76 KDM4E (0.54) MAPTTDP1KDM4EMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594565-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
EP-2594562-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
EP-2594564-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
EP-2594563-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 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