SCHEMBL7928593

SCHEMBL7928593

O[C@@H](CCN1CCCC1)c1ccc(OCCCOc2ccccc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LTA4H P09960 2/20 0.53
HRH3 Q9Y5N1 6/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
HTR1A P08908 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL19043467 1.00 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL7924392 0.97 KDM4E (0.56) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL7996881 0.87 LTA4H (0.65) MEN1KMT2AKDM4EALDH1A1LTA4H
SCHEMBL13493022 0.81 HRH3 (0.57) MEN1KMT2AALDH1A1LTA4HHRH3
SCHEMBL7985189 0.81 HRH3 (0.57) MEN1KMT2AALDH1A1LTA4HHRH3
SCHEMBL29204593 0.79 HRH3 (0.62) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL8099708 0.79 MEN1 (0.67) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL7917489 0.79 HRH3 (0.55) MEN1KMT2AALDH1A1LTA4HHRH3
Hydrochloric Acid SCHEMBL29204587 0.78 HRH3 (0.60) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL21663340 0.76 LTA4H (0.67) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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