SCHEMBL7905997

SCHEMBL7905997

CNCCCC1(c2ccc(Cl)c(Cl)c2)CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.52
SLC6A3 Q01959 19/20 0.52
SLC6A2 P23975 4/20 0.51
ICMT O60725 1/20 0.44

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
SCHEMBL17029617 0.88 ICMT (0.41) SLC6A4SLC6A3SLC6A2ICMT
SCHEMBL17029602 0.87 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL17029614 0.87 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL5090502 0.86 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2
SCHEMBL17452663 0.81 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2ICMT
SCHEMBL7902544 0.78 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2
SCHEMBL5086827 0.77 SLC6A4 (0.73) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5302700 0.77 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL3466072 0.77 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5086349 0.76 SLC6A4 (0.71) 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-2974724-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS Sunovion Pharmaceuticals Inc. (US) 2016-01-20 EP disclosed
WO-2010091268-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2010-08-12 WO disclosed