Ethoxycarbonyl Group

Ethoxycarbonyl Group

SCHEMBL28014284

CCOC=O.c1cc2cc(C3CCNCC3)ccc2[nH]1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.40
TLR8 Q9NR97 5/20 0.40
TLR7 Q9NYK1 4/20 0.40
SLC6A2 P23975 10/20 0.39
SLC6A4 P31645 10/20 0.39
SLC6A3 Q01959 9/20 0.39
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2A6 P11509 1/20 0.38
QDPR P09417 1/20 0.37
HTR2C P28335 2/20 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
Ethoxycarbonyl Group SCHEMBL28291591 0.89 EPHX1 (0.39) SLC6A2SLC6A4SLC6A3CHRM1DRD2
SCHEMBL3956097 0.83 SLC6A2 (0.50) TLR9TLR8TLR7SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28061431 0.82 SLC6A2 (0.49) TLR9TLR8TLR7SLC6A2SLC6A4
Ethoxycarbonyl Group SCHEMBL27439208 0.75 CYP2A6 (0.46) CYP2A6
SCHEMBL12455980 0.75 HTR3A (0.49) TLR9TLR8TLR7SLC6A2SLC6A4
Ethoxycarbonyl Group SCHEMBL27597884 0.74 GAA (0.62) CYP2A6
Ethoxycarbonyl Group SCHEMBL27650371 0.74 AHR (0.62) CYP2A6
Ethoxycarbonyl Group SCHEMBL27447133 0.74 AHR (0.62) SLC6A2SLC6A4SLC6A3KCNH2CYP2A6
Ethoxycarbonyl Group SCHEMBL27613736 0.74 AHR (0.62) CYP2A6
Ethoxycarbonyl Group SCHEMBL28038686 0.74 CYP2A6 (0.45) CYP2A6

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-104640853-A Indole-amide compounds as beta-amyloid inhibitors HOFFMANN LA ROCHE 2015-05-20 CN disclosed