SCHEMBL8950637

SCHEMBL8950637

C=CC1COC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
FPR2 P25090 8/20 0.35
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
BTK Q06187 2/20 0.30
CNR2 P34972 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
SCHEMBL8950661 0.95 CNR2 (0.35) GABRA1GABRB2FPR2CNR2
SCHEMBL8950726 0.94 CNR2 (0.35) GABRA1GABRB2FPR2CNR2
SCHEMBL8950686 0.94 CNR2 (0.34) GABRA1GABRB2FPR2CNR2
SCHEMBL8950715 0.94 CNR2 (0.34) GABRA1GABRB2FPR2CNR2
SCHEMBL8950673 0.94 CNR2 (0.34) GABRA1GABRB2FPR2CNR2
SCHEMBL8950739 0.94 CNR2 (0.34) GABRA1GABRB2FPR2CNR2
SCHEMBL8950736 0.93 FPR2 (0.33) GABRA1GABRB2FPR2
SCHEMBL8952290 0.91 GABRA1 (0.37) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL8950895 0.90 FPR2 (0.34) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL8950704 0.89 HTR2C (0.35) HTR2CHTR2BHTR2A

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
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