SCHEMBL14219932

SCHEMBL14219932

C[C@H](Cc1ccc(C2CCC(CCc3ccc(Cl)c(F)c3)CC2)cc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
S1PR3 Q99500 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM2 Q14416 1/20 0.32
BDKRB1 P46663 1/20 0.31

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
SCHEMBL14219949 1.00 HCRTR1 (0.34) HCRTR1HCRTR2PPARGPPARASLC6A4
SCHEMBL14219596 0.94 PPARG (0.33) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL14219990 0.94 PPARG (0.33) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL14219941 0.91 GRM2 (0.34) HCRTR1HCRTR2SLC6A4SLC6A3GRM2
SCHEMBL14219960 0.91 GRM2 (0.34) HCRTR1HCRTR2SLC6A4SLC6A3GRM2
SCHEMBL14219956 0.90 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL14219926 0.90 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL14219962 0.88 SIGMAR1 (0.33) HCRTR1HCRTR2
SCHEMBL14219468 0.88 PPARG (0.38) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL14220026 0.88 PPARG (0.38) PPARGPPARASLC6A4SLC6A2SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed