SCHEMBL7130274

SCHEMBL7130274

COC(=O)[C@@H]1C2NC(CC2OC)C[C@H]1c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.63
SLC6A4 P31645 6/20 0.51
SLC6A2 P23975 5/20 0.50

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
SCHEMBL6358602 1.00 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2
SCHEMBL7131525 0.88 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2
SCHEMBL7131530 0.88 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2
SCHEMBL7122230 0.88 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL6357046 0.88 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL7124794 0.86 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2
SCHEMBL7124797 0.86 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2
SCHEMBL7033330 0.82 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2
SCHEMBL6358433 0.82 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2
SCHEMBL6356631 0.82 SLC6A3 (0.65) 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