SCHEMBL5329196

SCHEMBL5329196

Clc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.84
SLC6A4 P31645 17/20 0.84
SLC6A3 Q01959 14/20 0.84
HRH1 P35367 3/20 0.79
KCNH2 Q12809 2/20 0.69
MLNR O43193 1/20 0.69
ADRB2 P07550 1/20 0.69
CHRM2 P08172 1/20 0.69
CHRM1 P11229 1/20 0.69
CHRM3 P20309 1/20 0.69
HTR2C P28335 1/20 0.69
OPRK1 P41145 1/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
MAPK1 P28482 1/20 0.69
KMT2A Q03164 1/20 0.69

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
SCHEMBL3184924 1.00 SLC6A2 (0.84) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3184928 1.00 SLC6A2 (0.84) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3186545 1.00 SLC6A2 (0.84) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL5329200 1.00 SLC6A2 (0.84) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL5329188 1.00 SLC6A2 (0.84) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3184915 1.00 SLC6A2 (0.84) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3329249 0.91 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3192948 0.90 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3192938 0.90 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3187765 0.90 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3HRH1KCNH2

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-2007005935-A2 NOREPINEPHRINE TRANSPORTER RADIOTRACERS AND METHODS OF SYNTHESES THEREOF MOLECULAR NEUROIMAGING, LLC (US) 2007-01-11 WO disclosed