SCHEMBL7133289

SCHEMBL7133289

COCOC1CC2NC1CC(c1ccc(Cl)c(Cl)c1)C2C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.61
SLC6A4 P31645 11/20 0.61
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
ITGA5 P08648 1/20 0.51
CHRNB1 P11230 1/20 0.51
CHRNB2 P17787 1/20 0.51
SLC6A2 P23975 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
CHRND Q07001 1/20 0.51

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
SCHEMBL7133287 1.00 SLC6A3 (0.61) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7125476 0.88 SLC6A3 (0.67) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7125482 0.88 SLC6A3 (0.67) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7121103 0.84 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2
SCHEMBL6359095 0.82 SLC6A3 (0.60) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7036780 0.82 SLC6A3 (0.60) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL6357049 0.82 SLC6A3 (0.60) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL6363204 0.82 SLC6A3 (0.60) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL6357051 0.82 SLC6A3 (0.60) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7131443 0.82 SLC6A3 (0.68) SLC6A3SLC6A4CHRNA1CHRNGITGA5

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
US-6670375-B2 Particularly, 8-aza-, 8-carbo- and 8-oxo- tropanes having 6-or 7-substituents; preferred are the dopamine transporter, the serotonin transporter and the norepinephrine transporter. ORGANIX, INC. 2003-12-30 US claimed