SCHEMBL14219962

SCHEMBL14219962

C[C@H](Cc1ccc(C2CCC(CCc3cc(F)c(F)c(F)c3)CC2)cc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
CHRM4 P08173 1/20 0.32
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.31
IDO1 P14902 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL14219960 0.91 GRM2 (0.34) SIGMAR1IDO1HCRTR1HCRTR2MEN1
SCHEMBL14219941 0.91 GRM2 (0.34) SIGMAR1IDO1HCRTR1HCRTR2MEN1
SCHEMBL14219926 0.91 HCRTR1 (0.38) SIGMAR1HCRTR1HCRTR2
SCHEMBL14219956 0.91 HCRTR1 (0.38) SIGMAR1HCRTR1HCRTR2
SCHEMBL14219936 0.89 FFAR4 (0.33) SIGMAR1ESR2FFAR4MEN1KMT2A
SCHEMBL14219448 0.89 FFAR4 (0.33) SIGMAR1ESR2FFAR4MEN1KMT2A
SCHEMBL14219959 0.89 FFAR4 (0.36) SIGMAR1FFAR4HCRTR1HCRTR2MEN1
SCHEMBL14219931 0.89 GRM2 (0.33)
SCHEMBL14219925 0.89 FFAR4 (0.36) SIGMAR1FFAR4HCRTR1HCRTR2MEN1
SCHEMBL14219961 0.89 GRM2 (0.33)

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