SCHEMBL8939698

SCHEMBL8939698

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)cc3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.33
HTR2C P28335 8/20 0.32
HTR2B P41595 3/20 0.32
HTR2A P28223 6/20 0.32
KDM1A O60341 2/20 0.31
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
DRD4 P21917 1/20 0.30
HRH2 P25021 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR7 P34969 1/20 0.30
DRD3 P35462 1/20 0.30
HTR6 P50406 1/20 0.30
KCNH2 Q12809 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
SCHEMBL8939790 0.94 HTR2C (0.31) HTR2CHTR2BHTR2AKDM1A
SCHEMBL8939936 0.93 HTR2C (0.31) HTR2CHTR2B
SCHEMBL8940651 0.92 HTR2C (0.31) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8939579 0.92 KDM1A (0.37) FASNKDM1A
SCHEMBL8940548 0.90 HTR2C (0.31) HTR2CHTR2B
SCHEMBL8940448 0.89 KDM1A (0.34) KDM1A
SCHEMBL8939733 0.89 FPR2 (0.35) FASNHTR2CHTR2BHTR2AKDM1A
SCHEMBL18718587 0.88 HTR2C (0.33) HTR2CHTR2BHTR2AKDM1AADRB2
SCHEMBL8939598 0.88 FASN (0.34) FASNKDM1A
SCHEMBL13262839 0.88 FASN (0.34) FASNKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed