SCHEMBL7434240

SCHEMBL7434240

FC(F)(F)c1ccc(OC(CCN2CCCCC2)c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.61
HRH3 Q9Y5N1 4/20 0.61
HTR1A P08908 11/20 0.56
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
LTA4H P09960 1/20 0.47
KCNK2 O95069 1/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
Oxalic Acid SCHEMBL7437107 0.94 SLC6A4 (0.56) SLC6A4HRH3HTR1ASLC6A2SLC6A3
SCHEMBL7435052 0.85 HRH3 (0.62) SLC6A4HRH3HTR1ALTA4H
SCHEMBL7430403 0.84 SLC6A4 (0.57) SLC6A4HRH3HTR1ASLC6A2SLC6A3
Oxalic Acid SCHEMBL4739539 0.84 HTR1A (0.66) SLC6A4HRH3HTR1A
Oxalic Acid SCHEMBL4739725 0.83 HTR1A (0.67) SLC6A4HRH3HTR1ASLC6A2SLC6A3
SCHEMBL7435355 0.82 HRH3 (0.57) SLC6A4HRH3HTR1AKCNH2
SCHEMBL7435335 0.81 HTR1A (0.68) SLC6A4HRH3HTR1ASLC6A2SLC6A3
SCHEMBL17267470 0.80 SLC7A5 (0.65) SLC6A4HRH3HTR1ASLC6A2SLC6A3
SCHEMBL4734353 0.79 SLC6A4 (0.76) SLC6A4HRH3SLC6A2SLC6A3LTA4H
SCHEMBL8722851 0.79 HRH3 (0.49) SLC6A4HRH3LTA4H

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
EP-0576766-A1 Propanolamine derivatives, their preparation and use NOVO NORDISK A/S (DK) 1994-01-05 EP claimed