SCHEMBL6661205

SCHEMBL6661205

C=CC1CCC(c2ccc(C(F)(F)OC(C)c3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.36
KCNH2 Q12809 1/20 0.32
PDE2A O00408 1/20 0.32
APP P05067 1/20 0.32
NR1I2 O75469 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL6661664 0.89 PDE2A (0.35) TACR1PDE2AAPPHTR2C
SCHEMBL6662017 0.89 TACR1 (0.35) TACR1KCNH2PDE2AAPPNR1I2
SCHEMBL6664197 0.88 TACR1 (0.34) TACR1KCNH2PDE2AAPP
SCHEMBL6662862 0.88 TACR1 (0.32) TACR1APP
SCHEMBL6666728 0.87 HTR2C (0.33) TACR1HTR2C
SCHEMBL6667752 0.86 HTR2C (0.40) TACR1HTR2C
SCHEMBL6668681 0.85 PDE2A (0.38) PDE2AAPP
SCHEMBL6665747 0.84 CYP11B1 (0.32) APP
SCHEMBL6661104 0.83 ESR2 (0.35) TACR1HTR2C
SCHEMBL6666390 0.82 TACR1 (0.33) TACR1

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