SCHEMBL9502684

SCHEMBL9502684

CN(C)CCC(Oc1ccc(SC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.70
HRH3 Q9Y5N1 3/20 0.70
SLC6A9 P48067 6/20 0.53
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
NPC1 O15118 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
MTOR P42345 2/20 0.47
RAB9A P51151 2/20 0.47
KCNK2 O95069 2/20 0.47
KCNH2 Q12809 2/20 0.47
CACNA1C Q13936 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 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
SCHEMBL9499401 0.84 SLC6A4 (0.65) SLC6A4HRH3SLC6A9SLC6A2
SCHEMBL29700710 0.83 SLC6A4 (1.00) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL679320 0.83 SLC6A4 (1.00) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL9501096 0.83 SLC6A4 (0.64) SLC6A4HRH3SLC6A9SLC6A2
SCHEMBL9502664 0.82 SLC6A4 (0.70) SLC6A4HRH3SLC6A2SLC6A3NPC1
SCHEMBL7158810 0.82 SLC6A4 (0.73) SLC6A4HRH3SLC6A9SLC6A2HTR2A
Hydrochloric Acid SCHEMBL9500934 0.82 SLC6A4 (0.74) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
Bromide SCHEMBL9499379 0.81 SLC6A4 (0.61) SLC6A4HRH3SLC6A9SLC6A2
SCHEMBL17278133 0.80 SLC7A5 (0.70) SLC6A4HRH3SLC6A2SLC6A3NPC1
SCHEMBL685134 0.79 SLC6A4 (0.70) SLC6A4HRH3SLC6A9SLC6A2HTR2A

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