SCHEMBL17029616

SCHEMBL17029616

NCCCC1(c2ccc3ccccc3c2)CCC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.65
SLC6A3 Q01959 18/20 0.65
SLC6A2 P23975 6/20 0.65

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
Hydrochloric Acid SCHEMBL5310334 0.94 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2
SCHEMBL5140924 0.86 SLC6A4 (0.77) SLC6A4SLC6A3SLC6A2
SCHEMBL5309463 0.81 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL3518513 0.79 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL17452479 0.78 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL17029605 0.77 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL20459051 0.76 SLC6A4 (0.84) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5308102 0.76 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2
SCHEMBL15862766 0.73 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL5089843 0.73 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