SCHEMBL5695891

SCHEMBL5695891

OC(Cc1ccccc1-c1cccc(Cl)c1Cl)(c1ccccc1)C1CNCCO1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.78
SLC6A4 P31645 8/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP2D6 P10635 1/20 0.35

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
SCHEMBL14203048 0.93 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3
SCHEMBL14229089 0.93 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5045865 0.92 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5038421 0.92 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3
SCHEMBL14203012 0.88 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5428490 0.87 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5046054 0.87 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5046050 0.87 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3
SCHEMBL14202975 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL8284213 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6

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-1660065-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed