SCHEMBL9501079

SCHEMBL9501079

CN(C)CCC(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.61
HRH3 Q9Y5N1 3/20 0.61
SLC6A9 P48067 8/20 0.51
HTR1A P08908 1/20 0.49

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 SCHEMBL11350914 0.95 SLC6A4 (0.57) SLC6A4HRH3SLC6A9
SCHEMBL11354920 0.87 SLC6A4 (0.61) SLC6A4HRH3SLC6A9
Hydrochloric Acid SCHEMBL11350064 0.86 SLC6A4 (0.60) SLC6A4HRH3SLC6A9
SCHEMBL11357415 0.86 CHRNB2 (0.57) SLC6A4HRH3SLC6A9
Hydrochloric Acid SCHEMBL11353012 0.85 CHRNB2 (0.56) SLC6A4HRH3SLC6A9
SCHEMBL7158810 0.83 SLC6A4 (0.73) SLC6A4HRH3SLC6A9
SCHEMBL6006914 0.82 HTR1A (0.52) SLC6A4HRH3SLC6A9HTR1A
SCHEMBL6005254 0.82 HTR1A (0.52) SLC6A4HRH3SLC6A9HTR1A
SCHEMBL8931276 0.81 SLC6A4 (0.64) SLC6A4HRH3SLC6A9HTR1A
SCHEMBL685134 0.80 SLC6A4 (0.70) SLC6A4HRH3SLC6A9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238959-A For inhibiting serotonin uptake, antidepressant, suppression of alcoholism and obesity ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
EP-0336753-B1 IMPROVEMENTS IN OR RELATING TO PROPANAMINE DERIVATIVES ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
EP-0336753-A1 Improvements in or relating to propanamine derivatives ELI LILLY AND COMPANY (US) 1989-10-11 EP disclosed
US-4296126-A 3-Aryloxy-3-aryl-propaneamines and their method of use ROUSSEL UCLAF (FR) 1981-10-20 US disclosed