SCHEMBL9856873

SCHEMBL9856873

CNCCC(Cc1ccc(C(F)(F)F)cc1C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.50
SLC6A2 P23975 8/20 0.50
CYP2D6 P10635 7/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 5/20 0.50
CYP3A4 P08684 5/20 0.50
MEN1 O00255 4/20 0.50
HTR2C P28335 4/20 0.50
SLC6A3 Q01959 4/20 0.50
HTR2A P28223 4/20 0.50
HRH1 P35367 4/20 0.50
CYP1A2 P05177 4/20 0.50
TSHR P16473 3/20 0.50
CHRM1 P11229 3/20 0.50
ADRA2B P18089 3/20 0.50
OPRM1 P35372 3/20 0.50
OPRK1 P41145 3/20 0.50
HTR2B P41595 3/20 0.50
KCNH2 Q12809 3/20 0.50
HRH3 Q9Y5N1 3/20 0.50

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
SCHEMBL9857169 0.85 SLC6A4 (0.48) SLC6A4SLC6A2CYP2D6KMT2ALMNA
SCHEMBL9856532 0.81 SLC6A4 (0.58) SLC6A4SLC6A2CYP2D6KMT2ALMNA
SCHEMBL8263713 0.81 HTR2A (0.53) SLC6A4SLC6A2CYP2D6KMT2ALMNA
SCHEMBL14526719 0.81 HTR2A (0.53) SLC6A4SLC6A2CYP2D6KMT2ALMNA
SCHEMBL9857406 0.81 CYP2D6 (0.52) SLC6A4SLC6A2CYP2D6KMT2ALMNA
Hydrochloric Acid SCHEMBL9857132 0.80 SLC6A4 (0.59) SLC6A4SLC6A2CYP2D6KMT2ALMNA
SCHEMBL9856925 0.79 HTR2A (0.47) SLC6A4SLC6A2CYP2D6KMT2ALMNA
SCHEMBL9857396 0.79 SLC6A4 (0.54) SLC6A4SLC6A2CYP2D6KMT2ALMNA
SCHEMBL18733705 0.74 SLC6A4 (0.39) SLC6A4SLC6A2CYP2D6LMNAHTR2C
SCHEMBL4811791 0.73 HTR2A (0.70) SLC6A4SLC6A2CYP2D6KMT2ALMNA

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-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed