SCHEMBL7901520

SCHEMBL7901520

CCNCCC1(c2ccc3ccccc3c2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.59
SLC6A3 Q01959 18/20 0.59
SLC6A2 P23975 7/20 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
SCHEMBL17708138 0.99 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2
SCHEMBL5086343 0.84 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2
SCHEMBL10839475 0.81 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5308102 0.81 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2
SCHEMBL17452479 0.80 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL20459136 0.79 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2
SCHEMBL17029605 0.79 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL21726293 0.79 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL7899271 0.78 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2
SCHEMBL7900796 0.77 SLC6A4 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010091268-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2010-08-12 WO disclosed