SCHEMBL9856815

SCHEMBL9856815

CCc1cccc(C(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.54
SLC6A4 P31645 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
UTS2R Q9UKP6 8/20 0.41
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
HTR2C P28335 1/20 0.39
CCR2 P41597 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
TACR1 P25103 1/20 0.36

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
SCHEMBL9856945 0.86 HTR2A (0.49) SLC6A9SLC6A4HTR2ASIGMAR1
SCHEMBL9857350 0.84 SLC6A9 (0.67) SLC6A9SLC6A4HRH3UTS2RHTR2A
SCHEMBL9856509 0.81 HTR2A (0.51) SLC6A9SLC6A4HRH3HTR2AHTR2B
SCHEMBL9857184 0.81 UTS2R (0.46) SLC6A9SLC6A4HRH3UTS2RHTR2A
SCHEMBL9857027 0.78 HTR2A (0.49) SLC6A9SLC6A4HTR2AHTR2BHTR2C
SCHEMBL9857304 0.74 TAAR1 (0.50) SLC6A9SLC6A4HTR2ALMNAMAPT
SCHEMBL13204407 0.73 SLC6A9 (0.63) SLC6A9SLC6A4HRH3HTR2AHTR2B
SCHEMBL10594964 0.73 TAAR1 (0.33) HTR2ALMNAMAPT
SCHEMBL9857092 0.73 TAAR1 (0.36) SLC6A4HRH3HTR2A
SCHEMBL9857061 0.70 SLC6A4 (0.42) SLC6A9SLC6A4HRH3HTR2AHTR2C

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