SCHEMBL9556017

SCHEMBL9556017

CCCCC1CCC(CCC2COC(c3ccc(C#N)cc3)OC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM1A O60341 2/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL9556014 1.00 GRM2 (0.39) GRM2TSHRHSD17B10HRH3CYP1A2
SCHEMBL9556289 0.96 GRM2 (0.43) GRM2TSHRHSD17B10HRH3CYP1A2
SCHEMBL9556285 0.96 GRM2 (0.43) GRM2TSHRHSD17B10HRH3CYP1A2
SCHEMBL9556126 0.95 GRM2 (0.45) GRM2TSHRHSD17B10HRH3BCHE
SCHEMBL9556130 0.95 GRM2 (0.45) GRM2TSHRHSD17B10HRH3BCHE
SCHEMBL7910396 0.95 GRM2 (0.41) GRM2TSHRHSD17B10HRH3CYP2A6
SCHEMBL1934266 0.95 GRM2 (0.41) GRM2TSHRHSD17B10HRH3CYP2A6
SCHEMBL9556490 0.92 MEN1 (0.37) GRM2HRH3CYP2A6MAOAMAOB
SCHEMBL9556485 0.92 MEN1 (0.37) GRM2HRH3CYP2A6MAOAMAOB
SCHEMBL7781429 0.91 GRM2 (0.38) 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