SCHEMBL11544879

SCHEMBL11544879

CNC(C)Cc1cccc(SC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
SLC18A2 Q05940 1/20 0.50
SLC6A4 P31645 4/20 0.45
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR2C P28335 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL11544149 0.87 SLC6A4 (0.46) TAAR1SIGMAR1SLC18A2SLC6A4HTR2A
Tiflorex SCHEMBL2108377 0.85 SIGMAR1 (0.63) SIGMAR1SLC6A4HTR2AHTR2BLMNA
Tiflorex SCHEMBL11551709 0.84 SIGMAR1 (0.62) SIGMAR1SLC6A4HTR2AHTR2BLMNA
SCHEMBL11545130 0.84 SIGMAR1 (0.48) SIGMAR1SLC6A4HTR2AHTR2BLMNA
SCHEMBL17449716 0.84 HTR2A (0.44) TAAR1SIGMAR1SLC6A4HTR2AHTR2B
SCHEMBL11547028 0.83 SIGMAR1 (0.55) SIGMAR1SLC6A4HTR2AHTR2BLMNA
SCHEMBL11547646 0.83 HTR2A (0.58) TAAR1SIGMAR1SLC6A4HTR2AHTR2B
Hydrochloric Acid SCHEMBL11546088 0.81 HTR2A (0.57) TAAR1SIGMAR1SLC6A4HTR2AHTR2B
SCHEMBL8986799 0.81 TAAR1 (0.46) TAAR1SIGMAR1SLC18A2SLC6A4HTR2A
SCHEMBL11545201 0.80 SIGMAR1 (0.50) SIGMAR1SLC6A4HTR2AHTR2BLMNA

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-4129598-A ANOREXIGENIC AGENTS SYNTHELABO (FR) 1978-12-12 US claimed
US-4148923-A 1-(3'-Trifluoromethylthiophenyl)-2-ethylaminopropane pharmaceutical composition and method for treating obesity SYNTHELABO (FR) 1979-04-10 US disclosed
US-4129598-A ANOREXIGENIC AGENTS SYNTHELABO (FR) 1978-12-12 US disclosed