SCHEMBL9556285

SCHEMBL9556285

CCCCC[C@H]1CC[C@H](CC[C@H]2CO[C@H](c3ccc(C#N)cc3)OC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BCHE P06276 1/20 0.32
KDM1A O60341 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MGLL Q99685 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL9556289 1.00 GRM2 (0.43) GRM2TSHRHSD17B10HRH3GAA
SCHEMBL9556126 0.99 GRM2 (0.45) GRM2TSHRHSD17B10HRH3GAA
SCHEMBL9556130 0.99 GRM2 (0.45) GRM2TSHRHSD17B10HRH3GAA
SCHEMBL9556017 0.96 GRM2 (0.39) GRM2TSHRHSD17B10HRH3BCHE
SCHEMBL9556014 0.96 GRM2 (0.39) GRM2TSHRHSD17B10HRH3BCHE
SCHEMBL1934965 0.95 GRM2 (0.46) GRM2TSHRHSD17B10HRH3CYP2A6
SCHEMBL4650784 0.95 GRM2 (0.46) GRM2TSHRHSD17B10HRH3CYP2A6
SCHEMBL9362811 0.93 GRM2 (0.48) GRM2TSHRHSD17B10HRH3CYP2A6
SCHEMBL10865557 0.93 GRM2 (0.48) GRM2TSHRHSD17B10HRH3CYP2A6
SCHEMBL9362814 0.93 GRM2 (0.48) GRM2TSHRHSD17B10HRH3CYP2A6

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-5238599-A Low threshold voltage, low driving voltage SEIKO EPSON CORPORATION (JP) 1993-08-24 US disclosed
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP disclosed