SCHEMBL5090597

SCHEMBL5090597

NCCC1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 17/20 0.73
SLC6A4 P31645 14/20 0.73
SLC6A2 P23975 5/20 0.57

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
SCHEMBL11108390 0.94 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2
SCHEMBL3663025 0.85 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL31441154 0.85 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL3523556 0.83 SLC6A3 (0.96) SLC6A3SLC6A4SLC6A2
SCHEMBL7888175 0.82 SLC6A3 (0.96) SLC6A3SLC6A4SLC6A2
SCHEMBL10633566 0.81 SLC6A3 (0.62) SLC6A3SLC6A4SLC6A2
SCHEMBL12002388 0.81 SLC6A4 (0.62) SLC6A3SLC6A4SLC6A2
SCHEMBL2864514 0.81 DPP4 (0.68) SLC6A3SLC6A4SLC6A2
SCHEMBL5085612 0.81 SLC6A3 (0.76) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5308752 0.81 SLC6A3 (0.57) 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 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