SCHEMBL17029600

SCHEMBL17029600

Clc1ccc(C2(CCCNI)CCCC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.56
SLC6A3 Q01959 20/20 0.56
SLC6A2 P23975 16/20 0.55
CYP2D6 P10635 1/20 0.48

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
SCHEMBL17029602 0.85 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL5090502 0.84 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2
SCHEMBL17029614 0.82 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL5086827 0.78 SLC6A4 (0.73) SLC6A4SLC6A3SLC6A2
SCHEMBL7899271 0.77 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5086349 0.77 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2
SCHEMBL5141860 0.77 SLC6A3 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL5141057 0.77 SLC6A3 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL1566412 0.76 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL7900796 0.75 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 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
EP-2393357-B1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed