SCHEMBL7923985

SCHEMBL7923985

COc1ccccc1CCCN1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.82
SIGMAR1 Q99720 5/20 0.71
KCNH2 Q12809 2/20 0.69
DRD2 P14416 2/20 0.58
HTR2B P41595 2/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56

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
SCHEMBL9644974 0.86 SIGMAR1 (0.65) HRH3SIGMAR1KCNH2DRD2HTR2B
SCHEMBL23926367 0.86 SIGMAR1 (0.65) HRH3SIGMAR1KCNH2DRD2HTR2B
SCHEMBL30118922 0.86 SIGMAR1 (0.65) HRH3SIGMAR1KCNH2DRD2HTR2B
SCHEMBL11260259 0.86 HRH3 (0.69) HRH3SIGMAR1KCNH2DRD2MEN1
SCHEMBL18926549 0.82 LTA4H (0.59) HRH3SIGMAR1DRD2ALDH1A1
SCHEMBL12107196 0.82 SIGMAR1 (1.00) HRH3SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1325164 0.81 SIGMAR1 (0.97) HRH3SIGMAR1KCNH2
SCHEMBL11392174 0.80 SIGMAR1 (0.79) HRH3SIGMAR1KCNH2DRD2HTR2B
SCHEMBL13284339 0.80 MEN1 (0.79) HRH3SIGMAR1DRD2HTR2BMEN1
SCHEMBL2076533 0.79 MAPT (0.53) HRH3SIGMAR1KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253734-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-12-23 EP disclosed
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-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO disclosed