SCHEMBL6668679

SCHEMBL6668679

C=C[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
PDE2A O00408 2/20 0.32
KCNH2 Q12809 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
SCHEMBL6662134 0.89 P2RX7 (0.33) P2RX7HCRTR1HCRTR2PDE2AKCNH2
SCHEMBL6662858 0.88 P2RX7 (0.33) P2RX7HCRTR1HCRTR2PDE2AKCNH2
SCHEMBL6661657 0.87 KDM1A (0.34) KCNH2
SCHEMBL6666723 0.85 HTR2C (0.34)
SCHEMBL6664872 0.84 GRM2 (0.33) KCNH2
SCHEMBL6661199 0.84 FFAR4 (0.33)
SCHEMBL6663132 0.84 ALDH1A1 (0.38) P2RX7HCRTR1HCRTR2PDE2AKCNH2
SCHEMBL6665743 0.83 RORC (0.33) KCNH2
SCHEMBL6666418 0.82 P2RX7 (0.32) P2RX7HCRTR1HCRTR2PDE2AKCNH2
SCHEMBL6667749 0.82 HTR2C (0.40)

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