SCHEMBL7130583

SCHEMBL7130583

COC(=O)[C@@H]1C2CC(OC)C(C[C@H]1c1ccccc1)N2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.52
SLC6A4 P31645 8/20 0.52
SLC6A2 P23975 6/20 0.49

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
SCHEMBL7130588 1.00 SLC6A3 (0.52) SLC6A3SLC6A4SLC6A2
SCHEMBL7121108 0.87 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2
SCHEMBL7121114 0.87 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2
SCHEMBL7130698 0.85 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL7130697 0.85 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL7125482 0.82 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2
SCHEMBL7125476 0.82 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2
SCHEMBL7131525 0.78 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2
SCHEMBL7131530 0.78 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2
SCHEMBL16592158 0.77 SLC6A3 (0.79) SLC6A3SLC6A4SLC6A2

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