SCHEMBL8970398

SCHEMBL8970398

CCCCCC1CCC(C#Cc2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.35
SLC6A4 P31645 12/20 0.35
SLC6A3 Q01959 11/20 0.35
FPR2 P25090 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
SCHEMBL8943565 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3FPR2
SCHEMBL8943998 0.81 FPR2 (0.36) SLC6A2SLC6A4SLC6A3FPR2
SCHEMBL8970206 0.81 NAAA (0.31)
SCHEMBL8970216 0.81 RARB (0.32) FPR2
SCHEMBL8970923 0.80 NAAA (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL8970451 0.80 FPR2 (0.30) FPR2
SCHEMBL13000880 0.80 HTR2C (0.30)
SCHEMBL8970564 0.79 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3FPR2
SCHEMBL8969570 0.79 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL8969950 0.78 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3

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