SCHEMBL7982901

SCHEMBL7982901

Clc1ccc(CCCN2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.73
HRH1 P35367 4/20 0.73
SLC6A2 P23975 2/20 0.73
CHRM2 P08172 1/20 0.73
ADRA2C P18825 1/20 0.73
SLC6A4 P31645 1/20 0.73
SLC6A3 Q01959 1/20 0.73
KCNH2 Q12809 1/20 0.73
CACNA1C Q13936 1/20 0.73
SCN5A Q14524 1/20 0.73
SIGMAR1 Q99720 8/20 0.71
HTR2C P28335 2/20 0.71
TMEM97 Q5BJF2 2/20 0.71
CHRM4 P08173 1/20 0.71
HTR7 P34969 1/20 0.71
LTA4H P09960 1/20 0.64
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MCHR1 Q99705 1/20 0.59
MBTD1 Q05BQ5 1/20 0.58

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
SCHEMBL22561783 0.93 HRH3 (0.74) HRH3HRH1SLC6A2CHRM2ADRA2C
Hydrochloric Acid SCHEMBL10503404 0.91 SIGMAR1 (0.66) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL10502864 0.90 SIGMAR1 (0.66) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL18917604 0.90 LTA4H (0.75) HRH3HRH1SLC6A2CHRM2ADRA2C
Hydrochloric Acid SCHEMBL7369873 0.90 HRH3 (0.73) HRH3HRH1SLC6A2CHRM2ADRA2C
Hydrochloric Acid SCHEMBL10503180 0.87 SIGMAR1 (0.62) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL27689434 0.86 HRH3 (0.71) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL25809972 0.85 SCN5A (0.68) HRH3HRH1SLC6A2CHRM2ADRA2C
Pitolisant SCHEMBL117648 0.85 HRH3 (1.00) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL10504465 0.85 SIGMAR1 (0.62) HRH3HRH1SLC6A2CHRM2ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 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
EP-2594564-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2016-09-28 EP disclosed
EP-2594562-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2016-07-20 EP disclosed
WO-2015065937-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2015-05-07 WO disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO 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