SCHEMBL7432206

SCHEMBL7432206

CN(C)CCC(Oc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.58
SLC6A4 P31645 3/20 0.54
HRH3 Q9Y5N1 3/20 0.54
HTR1A P08908 1/20 0.47
ENPP2 Q13822 1/20 0.45
UTS2R Q9UKP6 1/20 0.43
KIF11 P52732 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 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
SCHEMBL9195891 0.84 SLC6A4 (0.60) SLC6A9SLC6A4HRH3UTS2R
SCHEMBL9398411 0.84 SLC6A4 (0.74) SLC6A9SLC6A4HRH3
Oxalic Acid SCHEMBL7313016 0.82 SLC6A9 (0.72) SLC6A9SLC6A4HRH3
SCHEMBL11357415 0.80 CHRNB2 (0.57) SLC6A9SLC6A4HRH3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL11353012 0.79 CHRNB2 (0.56) SLC6A9SLC6A4HRH3CHRNB2CHRNA4
SCHEMBL9501079 0.78 SLC6A4 (0.61) SLC6A9SLC6A4HRH3HTR1A
Oxalic Acid SCHEMBL11350914 0.77 SLC6A4 (0.57) SLC6A9SLC6A4HRH3
SCHEMBL11354920 0.76 SLC6A4 (0.61) SLC6A9SLC6A4HRH3UTS2R
SCHEMBL7439069 0.75 SLC6A4 (0.58) SLC6A4HRH3
Hydrochloric Acid SCHEMBL11350064 0.75 SLC6A4 (0.60) SLC6A9SLC6A4HRH3UTS2R

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