SCHEMBL14219452

SCHEMBL14219452

CCOc1c(F)cc(CCC2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.30
POLB P06746 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL14219434 1.00 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3PTGDR2POLB
SCHEMBL14219991 0.88 FFAR4 (0.33)
SCHEMBL14219344 0.88 FFAR4 (0.33)
SCHEMBL14219445 0.87 CHRM4 (0.33)
SCHEMBL14219438 0.85 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL14219446 0.85 MEN1 (0.31)
SCHEMBL14220032 0.85 PDE5A (0.32) SLC6A4
SCHEMBL14219443 0.84 HTR2A (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL14219436 0.84 HTR2A (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL14219487 0.83 FFAR4 (0.35) PTGDR2POLB

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