SCHEMBL7891185

SCHEMBL7891185

CCNCCC1(c2ccc(Cl)c(C)c2)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 19/20 0.59
SLC6A4 P31645 18/20 0.59
SLC6A2 P23975 13/20 0.59
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL7900796 0.89 SLC6A4 (0.74) SLC6A3SLC6A4SLC6A2
SCHEMBL7899271 0.87 SLC6A4 (0.72) SLC6A3SLC6A4SLC6A2
SCHEMBL7898883 0.85 SLC6A4 (0.68) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5307133 0.83 SLC6A4 (0.66) SLC6A3SLC6A4SLC6A2
SCHEMBL17708138 0.77 SLC6A4 (0.62) SLC6A3SLC6A4SLC6A2
SCHEMBL17452663 0.76 SLC6A4 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL7901520 0.75 SLC6A4 (0.59) SLC6A3SLC6A4SLC6A2
SCHEMBL3466798 0.74 SLC6A4 (0.67) SLC6A3SLC6A4SLC6A2
SCHEMBL3466794 0.74 SLC6A4 (0.67) SLC6A3SLC6A4SLC6A2
SCHEMBL3521193 0.74 SLC6A4 (1.00) SLC6A3SLC6A4SLC6A2GAACASP1

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