SCHEMBL27499030

SCHEMBL27499030

CCOC(=O)C1(c2ccccc2)CCCC1CCN(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.47
OPRM1 P35372 7/20 0.43
OPRD1 P41143 5/20 0.43
OPRK1 P41145 5/20 0.43
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
KCNA3 P22001 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL4661013 0.86 SLC6A2 (0.44) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL4021178 0.85 SLC6A2 (0.43) SLC6A4SLC6A2
SCHEMBL8112597 0.83 SLC6A2 (0.43) OPRM1SLC6A4SLC6A2
SCHEMBL8320731 0.80 SLC22A1 (0.51) SLC22A1OPRM1OPRD1OPRK1SLC6A4
Hydrochloric Acid SCHEMBL8316995 0.79 SLC22A1 (0.50) SLC22A1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL8320764 0.76 SLC22A1 (0.50) SLC22A1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL29204727 0.76 SLC22A1 (0.54) SLC22A1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL6662356 0.75 SLC6A2 (0.43) SLC22A1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL8319705 0.74 SLC22A1 (0.52) SLC22A1OPRM1OPRD1OPRK1SLC6A4
Hydrochloric Acid SCHEMBL8318722 0.73 OPRM1 (0.48) SLC22A1OPRM1OPRD1OPRK1SLC6A4

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
CN-1226886-A Arylcycloalkane carboxylic acid esters, their use, pharmaceutical compositions and process for their preparation PHARMACIA & UPJOHN AB (SE) 1999-08-25 CN claimed
CN-1226886-A Arylcycloalkane carboxylic acid esters, their use, pharmaceutical compositions and process for their preparation PHARMACIA & UPJOHN AB (SE) 1999-08-25 CN disclosed