SCHEMBL8233186

SCHEMBL8233186

CNC[C@@]1(c2ccc3ccccc3c2)CCCCC1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 20/20 1.00
SLC6A4 P31645 18/20 1.00
SLC6A2 P23975 2/20 0.59

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
SCHEMBL3520752 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3521455 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3520748 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3520750 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL13282106 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3521453 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL27755286 0.86 SLC6A3 (0.76) SLC6A3SLC6A4SLC6A2
SCHEMBL3517244 0.83 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3517239 0.83 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3517911 0.83 SLC6A3 (1.00) 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
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 WO disclosed