SCHEMBL16191123

SCHEMBL16191123

CCC(C)(c1ccccc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.48
CHRM1 P11229 12/20 0.48
KCNH2 Q12809 5/20 0.48
CYP2D6 P10635 4/20 0.48
CHRM3 P20309 9/20 0.44
CHRM4 P08173 8/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CHRM5 P08912 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
HRH1 P35367 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL27826010 0.84 CHRM2 (0.43) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL27819590 0.80 CHRM2 (0.40) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL8922034 0.80 CYP2C19 (0.51) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL19663684 0.78 MGLL (0.45) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL12441787 0.76 CHRM2 (0.66) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL2933098 0.76 CHRM2 (0.66) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL846064 0.76 KEAP1 (0.48) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL27432645 0.76 KEAP1 (0.48) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL9906166 0.75 KEAP1 (0.56) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL18415154 0.75 KEAP1 (0.56) CHRM2CHRM1KCNH2CYP2D6CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN disclosed
CN-1216320-C Radiation sensitive refractivity change composition and method for changing refractivity JSR CORP (JP) 2005-08-24 CN disclosed