SCHEMBL8935564

SCHEMBL8935564

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCCCCCCC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.34
HTR2A P28223 5/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTR2B P41595 3/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
LMNA P02545 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
SCHEMBL8935665 1.00 HTR2C (0.34) HTR2CHTR2AGAAMAPTHTR2B
SCHEMBL8935430 1.00 HTR2C (0.34) HTR2CHTR2AGAAMAPTHTR2B
SCHEMBL8962834 0.97 HTR2C (0.32) HTR2CHTR2AGAAMAPTHTR2B
SCHEMBL8962924 0.97 HTR2C (0.32) HTR2CHTR2AGAAMAPTHTR2B
SCHEMBL8963378 0.97 HTR2C (0.32) HTR2CHTR2AGAAMAPTHTR2B
SCHEMBL8935162 0.96 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1ALDH1A1
SCHEMBL19985625 0.95 HTR2C (0.35) HTR2CHTR2AGAAMAPTHTR2B
SCHEMBL19985620 0.95 HTR2C (0.35) HTR2CHTR2AGAAMAPTHTR2B
SCHEMBL19985612 0.95 HTR2C (0.35) HTR2CHTR2AGAAMAPTHTR2B
SCHEMBL19985605 0.94 HTR2C (0.36) HTR2CHTR2AGAAMAPTHTR2B

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed