SCHEMBL9856881

SCHEMBL9856881

CCOc1cc(CC(CCN(C)C)c2ccccc2)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
SLC6A4 P31645 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTR2A P28223 2/20 0.38
HRH1 P35367 2/20 0.38
SSTR5 P35346 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
FAAH O00519 1/20 0.35
CHRM2 P08172 1/20 0.34
SLC6A2 P23975 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR2 P41597 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9856994 0.77 MEN1 (0.48) SLC6A9SLC6A4HRH3HTR2AHRH1
SCHEMBL9857074 0.76 CYSLTR2 (0.47) SLC6A4HRH3HTR2AHRH1CHRM1
SCHEMBL9857350 0.76 SLC6A9 (0.67) SLC6A9SLC6A4HRH3HTR2AHRH1
SCHEMBL9856509 0.75 HTR2A (0.51) SLC6A9SLC6A4HRH3HTR2AHRH1
SCHEMBL9856705 0.73 HTR2A (0.47) SLC6A9SLC6A4HRH3HTR2AHRH1
SCHEMBL9857027 0.72 HTR2A (0.49) SLC6A9SLC6A4HTR2AHRH1CHRM2
SCHEMBL9856667 0.71 HTR2A (0.51) SLC6A9SLC6A4HRH3HTR2AHRH1
SCHEMBL9857080 0.70 HTR2A (0.50) SLC6A9SLC6A4HTR2AHRH1CHRM2
SCHEMBL9856676 0.70 HTR2A (0.53) SLC6A9SLC6A4HTR2AHRH1CHRM2
SCHEMBL9856580 0.69 HTR2A (0.43) SLC6A9SLC6A4HRH3HTR2AHRH1

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