SCHEMBL6662858

SCHEMBL6662858

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.33
HCRTR1 O43613 6/20 0.33
HCRTR2 O43614 6/20 0.33
PDE2A O00408 2/20 0.33
CACNA1H O95180 1/20 0.32
KCNH2 Q12809 1/20 0.32
EPHX2 P34913 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
SCHEMBL6668679 0.88 P2RX7 (0.34) P2RX7HCRTR1HCRTR2PDE2AKCNH2
SCHEMBL6667936 0.88 FFAR4 (0.33)
SCHEMBL6666044 0.86 DAO (0.32) KCNH2
SCHEMBL6666418 0.86 P2RX7 (0.32) P2RX7HCRTR1HCRTR2PDE2ACACNA1H
SCHEMBL6665069 0.85 SPHK1 (0.34)
SCHEMBL6665435 0.85 SLC6A4 (0.33) KCNH2EPHX2
SCHEMBL6663132 0.84 ALDH1A1 (0.38) P2RX7HCRTR1HCRTR2PDE2AKCNH2
SCHEMBL6662010 0.84 FFAR4 (0.32)
SCHEMBL6667523 0.84 KDM1A (0.34) CACNA1H
SCHEMBL6664362 0.82 HTR2C (0.39)

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