SCHEMBL5086438

SCHEMBL5086438

CNCCC1(c2cccc3ccccc23)CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.74
SLC6A3 Q01959 13/20 0.74
SLC6A2 P23975 9/20 0.74
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HRH1 P35367 1/20 0.43

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
SCHEMBL3523393 0.85 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL7650154 0.80 SLC6A3 (0.67) SLC6A4SLC6A3SLC6A2
SCHEMBL5089817 0.80 SLC6A3 (0.77) SLC6A4SLC6A3SLC6A2HTR1B
SCHEMBL5085799 0.79 SLC6A3 (0.74) SLC6A4SLC6A3SLC6A2HTR1B
SCHEMBL7652069 0.78 SLC6A3 (0.63) SLC6A4SLC6A3SLC6A2
SCHEMBL7649384 0.77 SLC6A3 (0.61) SLC6A4SLC6A3SLC6A2
SCHEMBL3517653 0.76 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL27909073 0.76 SLC6A3 (0.71) SLC6A4SLC6A3SLC6A2
SCHEMBL7654532 0.76 SLC6A3 (0.71) SLC6A4SLC6A3SLC6A2
SCHEMBL3516027 0.76 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 WO disclosed