SCHEMBL7437461

SCHEMBL7437461

FC(F)(F)c1ccc(OC(CCN2CCCCC2)c2ccccc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.62
SLC6A4 P31645 4/20 0.49
HRH3 Q9Y5N1 2/20 0.49
LTA4H P09960 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNK2 O95069 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL7442963 0.79 HTR1A (0.51) HTR1ASLC6A4HRH3LTA4HKDM4E
SCHEMBL7427779 0.78 SLC7A5 (0.61) HTR1ASLC6A4HRH3LTA4HSLC6A2
SCHEMBL7444415 0.77 HRH3 (0.49) HTR1ASLC6A4HRH3LTA4HKDM4E
SCHEMBL7434240 0.77 SLC6A4 (0.61) HTR1ASLC6A4HRH3LTA4HSLC6A2
SCHEMBL17267470 0.76 SLC7A5 (0.65) HTR1ASLC6A4HRH3KDM4ESLC6A2
SCHEMBL7435335 0.75 HTR1A (0.68) HTR1ASLC6A4HRH3LTA4HSLC6A2
SCHEMBL17278128 0.74 SLC7A5 (0.66) HTR1ASLC6A4HRH3KDM4ESLC6A2
SCHEMBL17267500 0.74 SLC7A5 (0.66) HTR1ASLC6A4HRH3KDM4ESLC6A2
SCHEMBL7435052 0.74 HRH3 (0.62) HTR1ASLC6A4HRH3LTA4H
Oxalic Acid SCHEMBL4739539 0.73 HTR1A (0.66) HTR1ASLC6A4HRH3

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