SCHEMBL8945323

SCHEMBL8945323

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 6/20 0.36
FPR2 P25090 5/20 0.35
NAAA Q02083 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
MGLL Q99685 4/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 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
SCHEMBL8945491 0.99 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3FPR2NAAA
SCHEMBL18718432 0.96 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3FPR2CYP3A4
SCHEMBL18718438 0.95 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3FPR2CYP3A4
SCHEMBL18718442 0.95 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3FPR2CYP3A4
SCHEMBL8945032 0.93 FPR2 (0.36) SLC6A2SLC6A4SLC6A3FPR2NAAA
SCHEMBL18718420 0.93 FPR2 (0.38) SLC6A2SLC6A4SLC6A3FPR2MGLL
SCHEMBL8945177 0.93 FPR2 (0.33) SLC6A2SLC6A4SLC6A3FPR2NAAA
SCHEMBL8945376 0.92 FPR2 (0.33) SLC6A2SLC6A4SLC6A3FPR2
SCHEMBL8945138 0.92 FPR2 (0.35) SLC6A2SLC6A4SLC6A3FPR2
SCHEMBL8945609 0.92 FPR2 (0.33) SLC6A2SLC6A4SLC6A3FPR2NAAA

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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed