SCHEMBL6661664

SCHEMBL6661664

C=CC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.35
KDM1A O60341 1/20 0.33
TACR1 P25103 3/20 0.33
APP P05067 1/20 0.33
HTR2C P28335 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
EPHX2 P34913 1/20 0.30
SLC6A4 P31645 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
SCHEMBL6666048 0.90 PDE2A (0.34) PDE2AKDM1ATACR1APP
SCHEMBL6661205 0.89 TACR1 (0.36) PDE2ATACR1APPHTR2C
SCHEMBL6666991 0.89 PDE2A (0.33) PDE2AKDM1ATACR1APPTRPV1
SCHEMBL6666728 0.88 HTR2C (0.33) TACR1HTR2C
SCHEMBL6668681 0.87 PDE2A (0.38) PDE2AAPPEPHX2
SCHEMBL6667752 0.87 HTR2C (0.40) TACR1HTR2C
SCHEMBL6665747 0.86 CYP11B1 (0.32) APP
SCHEMBL6662862 0.84 TACR1 (0.32) TACR1APP
SCHEMBL6661104 0.84 ESR2 (0.35) TACR1HTR2C
SCHEMBL6661268 0.82 PDE2A (0.33) PDE2AKDM1AAPP

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