SCHEMBL9501066

SCHEMBL9501066

CN(C)CCC(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.61
HRH3 Q9Y5N1 2/20 0.61
SLC6A9 P48067 10/20 0.57
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51

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 SCHEMBL27297187 0.95 SLC6A9 (0.58) SLC6A4HRH3SLC6A9
Phosphoric Acid SCHEMBL10588440 0.94 SLC6A4 (0.55) SLC6A4HRH3SLC6A9
SCHEMBL11233689 0.88 SLC6A9 (0.71) SLC6A4HRH3SLC6A9
Oxalic Acid SCHEMBL9500931 0.84 SLC6A9 (0.72) SLC6A4HRH3SLC6A9
SCHEMBL7158810 0.83 SLC6A4 (0.73) SLC6A4HRH3SLC6A9
SCHEMBL6006580 0.82 CA12 (0.55) SLC6A4SLC6A9CA12CA1CA2
SCHEMBL9500943 0.82 SLC6A4 (0.68) SLC6A4HRH3SLC6A9
SCHEMBL27327439 0.82 SLC6A4 (0.69) SLC6A4HRH3
SCHEMBL5270870 0.80 SLC6A4 (0.70) SLC6A4HRH3SLC6A9
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 3 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