SCHEMBL7917489

SCHEMBL7917489

O[C@@H](CCN1CCCC1)c1ccc(OCCCC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LTA4H P09960 4/20 0.51
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SLC6A4 P31645 1/20 0.45

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
SCHEMBL7985189 0.85 HRH3 (0.57) HRH3MEN1KMT2ALTA4HPSMB1
SCHEMBL7996881 0.83 LTA4H (0.65) HRH3MEN1KMT2ALTA4HALDH1A1
SCHEMBL29204593 0.83 HRH3 (0.62) HRH3MEN1KMT2ALTA4HPSMB1
Hydrochloric Acid SCHEMBL29204587 0.82 HRH3 (0.60) HRH3MEN1KMT2ALTA4HPSMB1
SCHEMBL13493022 0.82 HRH3 (0.57) HRH3MEN1KMT2ALTA4HPSMB1
SCHEMBL13108495 0.80 SLC6A4 (0.49) HRH3LTA4HSLC6A4
SCHEMBL21663340 0.80 LTA4H (0.67) HRH3MEN1KMT2ALTA4HPSMB1
SCHEMBL7928593 0.79 MEN1 (0.58) HRH3MEN1KMT2ALTA4HALDH1A1
SCHEMBL19043467 0.79 MEN1 (0.58) HRH3MEN1KMT2ALTA4HALDH1A1
SCHEMBL19043542 0.78 HRH3 (0.52) HRH3MEN1KMT2ALTA4HPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 WO disclosed