SCHEMBL14219960

SCHEMBL14219960

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
SLC6A3 Q01959 2/20 0.31
SLC6A4 P31645 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL14219941 1.00 GRM2 (0.34) GRM2HCRTR1HCRTR2SIGMAR1SLC6A3
SCHEMBL14219964 0.93 MAOB (0.34) HCRTR1HCRTR2SIGMAR1SLC6A3SLC6A4
SCHEMBL14219479 0.93 MAOB (0.34) HCRTR1HCRTR2SIGMAR1SLC6A3SLC6A4
SCHEMBL14219962 0.91 SIGMAR1 (0.33) HCRTR1HCRTR2SIGMAR1MEN1KMT2A
SCHEMBL14219949 0.91 HCRTR1 (0.34) GRM2HCRTR1HCRTR2SLC6A3SLC6A4
SCHEMBL14219932 0.91 HCRTR1 (0.34) GRM2HCRTR1HCRTR2SLC6A3SLC6A4
SCHEMBL14219956 0.89 HCRTR1 (0.38) HCRTR1HCRTR2SIGMAR1
SCHEMBL14219926 0.89 HCRTR1 (0.38) HCRTR1HCRTR2SIGMAR1
SCHEMBL14219392 0.88 ESR1 (0.35) SLC6A3SLC6A4MAOBMEN1KMT2A
SCHEMBL14219936 0.88 FFAR4 (0.33) SIGMAR1MEN1KMT2A

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