SCHEMBL7122230

SCHEMBL7122230

COCOC1CC2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)OC)C1N2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.57
SLC6A4 P31645 5/20 0.49
SLC6A2 P23975 4/20 0.46

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
SCHEMBL6357046 1.00 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL6358602 0.88 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2
SCHEMBL7130274 0.88 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2
SCHEMBL6357049 0.84 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
SCHEMBL6357051 0.84 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
SCHEMBL6363204 0.84 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
SCHEMBL6359095 0.84 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
SCHEMBL7036780 0.84 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
SCHEMBL8171321 0.83 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2
SCHEMBL7036436 0.83 SLC6A3 (0.38) 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