SCHEMBL9502664

SCHEMBL9502664

CNCCC(Oc1ccc(SC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.70
KMT2A Q03164 6/20 0.70
CYP2D6 P10635 6/20 0.70
CYP3A4 P08684 6/20 0.70
MEN1 O00255 5/20 0.70
LMNA P02545 5/20 0.70
CYP1A2 P05177 5/20 0.70
SLC6A2 P23975 4/20 0.70
HTR2C P28335 4/20 0.70
SLC6A3 Q01959 4/20 0.70
TSHR P16473 4/20 0.70
CYP2C19 P33261 3/20 0.70
CHRM1 P11229 3/20 0.70
ADRA2B P18089 3/20 0.70
HTR2A P28223 3/20 0.70
HRH1 P35367 3/20 0.70
OPRM1 P35372 3/20 0.70
OPRK1 P41145 3/20 0.70
HTR2B P41595 3/20 0.70
KCNH2 Q12809 3/20 0.70

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
Sulfuric Acid SCHEMBL10589954 0.93 SLC6A4 (0.62) SLC6A4KMT2ACYP2D6CYP3A4MEN1
SCHEMBL9499069 0.84 SLC6A4 (0.75) SLC6A4KMT2ACYP2D6CYP3A4MEN1
Fluoxetine SCHEMBL8353 0.83 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4MEN1
Fluoxetine SCHEMBL8467346 0.83 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4MEN1
R-Fluoxetine SCHEMBL1200433 0.83 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4MEN1
Hydrochloric Acid SCHEMBL9500896 0.83 SLC6A4 (0.73) SLC6A4KMT2ACYP2D6CYP3A4MEN1
Fluoxetine SCHEMBL570572 0.83 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4MEN1
Fluoxetine SCHEMBL33947 0.83 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4MEN1
SCHEMBL9502684 0.82 SLC6A4 (0.70) SLC6A4KMT2ACYP2D6CYP3A4MEN1
SCHEMBL8197696 0.82 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4MEN1

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
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-A1 Improvements in or relating to propanamine derivatives ELI LILLY AND COMPANY (US) 1989-10-11 EP disclosed