SCHEMBL7997916

SCHEMBL7997916

C[C@@H](Cc1ccc2c(c1)OCCO2)CN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.48
CYP2D6 P10635 2/20 0.47
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
DPP7 Q9UHL4 1/20 0.46
KMT2A Q03164 1/20 0.45
PARP1 P09874 1/20 0.43
SSTR1 P30872 1/20 0.43
SSTR3 P32745 1/20 0.43
UGCG Q16739 4/20 0.43
HTR1A P08908 1/20 0.43
PTGS1 P23219 1/20 0.43
OPRM1 P35372 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
SCHEMBL19043185 1.00 CHRM3 (0.48) CHRM3CYP2D6TAAR1SLC6A2SLC6A4
SCHEMBL19043086 0.86 PARP1 (0.51) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL19043529 0.83 CYP2D6 (0.45) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL13460314 0.83 SLC6A4 (0.56) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL21729327 0.83 SLC6A4 (0.56) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2600416 0.83 SLC6A4 (0.56) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL19625066 0.82 CYP2D6 (0.48) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL21729367 0.82 SLC6A4 (0.55) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL14549518 0.77 ACACB (0.49) DPP7UGCGHTR1APTGS1OPRM1
SCHEMBL18132989 0.77 CYP3A4 (0.57) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3

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 8 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
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
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
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
WO-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed