SCHEMBL17044152

SCHEMBL17044152

CC(CN1CCOCC1)c1ccc2c(c1)CN(C)CC2c1ccc2ccoc2c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.58
SLC6A2 P23975 10/20 0.58
SLC6A3 Q01959 10/20 0.58
HRH3 Q9Y5N1 10/20 0.48
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 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
SCHEMBL4313152 0.83 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3HRH3CYP2D6
SCHEMBL17044153 0.80 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HRH3CYP2D6
SCHEMBL4303606 0.80 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HRH3CYP2D6
SCHEMBL4303961 0.77 SLC6A2 (0.74) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL4314435 0.77 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HRH3CYP2D6
SCHEMBL4309477 0.77 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HRH3CYP2D6
SCHEMBL4305507 0.76 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4308682 0.76 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4308630 0.76 SLC6A2 (0.73) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL4306255 0.76 SLC6A2 (0.73) SLC6A4SLC6A2SLC6A3CYP2D6

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
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP disclosed