SCHEMBL8941013

SCHEMBL8941013

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MGLL Q99685 4/20 0.34
NAAA Q02083 1/20 0.33
FPR2 P25090 5/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 2/20 0.33
HTR2C P28335 1/20 0.31
TDP2 O95551 1/20 0.31
PDE4D Q08499 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 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
SCHEMBL8941117 0.99 MGLL (0.36) GRIN1GRIN2BMGLLNAAAFPR2
SCHEMBL18718300 0.96 FPR2 (0.35) GRIN1GRIN2BMGLLFPR2SLC6A2
SCHEMBL18718305 0.95 MGLL (0.37) GRIN1GRIN2BMGLLFPR2SLC6A2
SCHEMBL18718313 0.95 MGLL (0.37) GRIN1GRIN2BMGLLFPR2SLC6A2
SCHEMBL8932646 0.94 GRIN1 (0.33) GRIN1GRIN2BNAAAFPR2
SCHEMBL18718284 0.93 FPR2 (0.36) GRIN1GRIN2BMGLLFPR2SLC6A2
SCHEMBL8940704 0.93 GRIN1 (0.36) GRIN1GRIN2BNAAAFPR2SLC6A2
SCHEMBL8941060 0.93 GRIN1 (0.33) GRIN1GRIN2BMGLLNAAAFPR2
SCHEMBL8941011 0.92 PTPN11 (0.33) GRIN1GRIN2BFPR2
SCHEMBL8941033 0.92 S1PR1 (0.33) GRIN1GRIN2BFPR2

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