SCHEMBL28283175

SCHEMBL28283175

CCOCN1CCCCC1(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.39
OPRD1 P41143 6/20 0.39
OPRK1 P41145 5/20 0.39
OPRL1 P41146 2/20 0.39
SLC6A4 P31645 3/20 0.38
KCNH2 Q12809 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLC6A2 P23975 1/20 0.38
PRCP P42785 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SLC22A1 O15245 2/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL28870944 0.80 OPRM1 (0.37) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL16474300 0.78 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL8552014 0.72 GRIN2D (0.48) OPRM1OPRD1SLC6A4KCNH2GRIN2D
SCHEMBL8014298 0.71 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL29082026 0.71 GRIN1 (0.47) OPRM1OPRD1SLC6A4KCNH2GRIN2D
Ammonia Solution, Strong SCHEMBL29082373 0.69 GRIN1 (0.46) OPRM1OPRD1SLC6A4KCNH2GRIN2D
SCHEMBL12488543 0.68 GRIN2D (0.44) OPRM1OPRD1OPRL1SLC6A4KCNH2
SCHEMBL27663775 0.67 OPRM1 (0.50) OPRM1OPRD1OPRK1SLC6A4KCNH2
SCHEMBL18812549 0.67 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL30338318 0.66 MEN1 (0.47) OPRM1OPRD1SLC6A4KCNH2GRIN2D

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
CN-109478472-A ELECTROLYTE FOR ELECTROCHEMICAL DEVICE, ELECTROLYTIC SOLUTION, AND ELECTROCHEMICAL DEVICE 大塚化学株式会社 2019-03-15 CN disclosed