SCHEMBL17044151

SCHEMBL17044151

CC(N)c1ccc2c(c1)CN(C)CC2c1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.44
SLC6A4 P31645 20/20 0.44
SLC6A3 Q01959 19/20 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
SCHEMBL4312773 0.85 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3
SCHEMBL4309427 0.84 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3
SCHEMBL4310233 0.83 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL4306436 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL4310335 0.82 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL17044155 0.82 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4304680 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL4317743 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL4309253 0.81 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL4309805 0.81 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3

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