SCHEMBL11249042

SCHEMBL11249042

FC(F)(F)CCc1ccccc1CCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
IDO1 P14902 2/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL18882522 0.89 GABRA1 (0.43) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL11148270 0.87 CYSLTR2 (0.35) TAAR1HTR2AHTR2CHTR2BIDO1
SCHEMBL11143281 0.87 HTR1A (0.44) TAAR1HTR2AIDO1ALDH1A1
SCHEMBL18726645 0.85 TAAR1 (0.58) TAAR1IDO1ALDH1A1
SCHEMBL11137807 0.85 HTR2A (0.57) HTR2ASLC6A4
SCHEMBL11062283 0.84 IDO1 (0.52) IDO1SLC6A2SLC6A4ALDH1A1
SCHEMBL11066668 0.84 TAAR1 (0.54) TAAR1HTR2AHTR2CHTR2BIDO1
SCHEMBL11060596 0.84 TAAR1 (0.54) TAAR1IDO1SLC6A4TSHR
SCHEMBL21475441 0.84 TAAR1 (0.54) TAAR1HTR2AHTR2CHTR2BIDO1
SCHEMBL11059677 0.84 TAAR1 (0.54) TAAR1IDO1SLC6A2SLC6A4

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-4324929-A CATALYTIC FLUOROALKYLATION OF BENZENE WITH 3,3,3-TRIFLUOROPROPYLENE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-04-13 US claimed
US-4324929-A CATALYTIC FLUOROALKYLATION OF BENZENE WITH 3,3,3-TRIFLUOROPROPYLENE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-04-13 US disclosed