SCHEMBL6662226

SCHEMBL6662226

C=C[C@H]1CC[C@H](CC(F)(F)OCc2ccc(F)c(F)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
DRD4 P21917 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
CNR1 P21554 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL6662238 1.00 HTR6 (0.32) HTR6GRM2GRM3DRD4SIGMAR1
SCHEMBL6664181 0.89 GRM2 (0.32) HTR6GRM2GRM3CNR1
SCHEMBL6664174 0.89 GRM2 (0.32) HTR6GRM2GRM3CNR1
SCHEMBL6663191 0.87 P2RX7 (0.37)
SCHEMBL6665286 0.87
SCHEMBL6665290 0.87
SCHEMBL6661914 0.86 RORC (0.37)
SCHEMBL6665729 0.86
SCHEMBL6668731 0.85 HTR6 (0.33) HTR6DRD4SIGMAR1MAOAMAOB
SCHEMBL6668733 0.85 HTR6 (0.33) HTR6DRD4SIGMAR1MAOAMAOB

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed