SCHEMBL7997735

SCHEMBL7997735

CCCCc1ccc(CCCN2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.65
LTA4H P09960 1/20 0.64
HRH1 P35367 1/20 0.64
HRH3 Q9Y5N1 7/20 0.58
L3MBTL3 Q96JM7 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MBTD1 Q05BQ5 1/20 0.53
DRD2 P14416 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51

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
SCHEMBL18917604 0.90 LTA4H (0.75) SIGMAR1LTA4HHRH1HRH3L3MBTL3
SCHEMBL11955057 0.89 SIGMAR1 (0.65) SIGMAR1LTA4HHRH1HRH3L3MBTL3
SCHEMBL19043080 0.87 HRH3 (0.77) LTA4HHRH3
SCHEMBL15922479 0.85 SPHK1 (0.69) SIGMAR1HRH1HRH3L3MBTL3L3MBTL1
SCHEMBL14501468 0.85 HRH1 (0.86) SIGMAR1LTA4HHRH1HRH3L3MBTL3
SCHEMBL492409 0.84 HRH3 (0.83) LTA4HHRH3
SCHEMBL15921650 0.84 SPHK1 (0.68) SIGMAR1HRH1HRH3L3MBTL3L3MBTL1
SCHEMBL15921209 0.84 SPHK1 (0.68) SIGMAR1HRH1HRH3L3MBTL3L3MBTL1
SCHEMBL19227711 0.83 HRH3 (0.81) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL13849647 0.83 HRH1 (0.72) SIGMAR1LTA4HHRH1HRH3L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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