SCHEMBL16596049

SCHEMBL16596049

Fc1cc(CCCN2CCC2)ccc1OC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
DRD2 P14416 1/20 0.48
LTA4H P09960 2/20 0.43
ABCB1 P08183 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
SIGMAR1 Q99720 5/20 0.41
EBP Q15125 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
UTS2R Q9UKP6 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD4 P21917 2/20 0.40
GRIN2B Q13224 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL16595882 0.97 SLC6A4 (0.51) SLC6A4SLC6A3DRD2LTA4HABCB1
SCHEMBL21122862 0.84 ABCB1 (0.46) SLC6A4SLC6A3DRD2LTA4HABCB1
SCHEMBL16695091 0.84 CSNK2A1 (0.53) SLC6A4SLC6A3LTA4HABCB1HRH3
SCHEMBL24045454 0.82 HRH1 (0.47) SLC6A4SLC6A3DRD2LTA4HABCB1
SCHEMBL16595899 0.82 CSNK2A1 (0.53) SLC6A4SLC6A3DRD2LTA4HHRH3
SCHEMBL16695116 0.81 CSNK2A1 (0.52) SLC6A4SLC6A3DRD2LTA4HHRH3
SCHEMBL7922224 0.80 SIGMAR1 (0.56) SLC6A4SLC6A3DRD2LTA4HABCB1
SCHEMBL19904416 0.80 ABCB1 (0.44) SLC6A4SLC6A3DRD2LTA4HABCB1
SCHEMBL19904479 0.79 HRH3 (0.45) SLC6A4SLC6A3DRD2ABCB1HRH3
SCHEMBL16695133 0.78 CSNK2A1 (0.56) SLC6A4SLC6A3DRD2LTA4HHRH3

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-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-3268355-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-06-12 EP disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO disclosed