SCHEMBL5573767

SCHEMBL5573767

Cc1ccc(N)c(C(C)(C)c2ccc3c(c2)CN(C)CC3c2cc3ccccc3[nH]2)c1C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.36
SLC6A4 P31645 20/20 0.36
SLC6A3 Q01959 20/20 0.36
KIF11 P52732 1/20 0.34

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
SCHEMBL4317743 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL4303039 0.80 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL4303041 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL4317160 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL5573771 0.78 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL4309427 0.77 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3
SCHEMBL4305174 0.75 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL4310233 0.74 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL4306436 0.74 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL4312773 0.74 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP claimed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO claimed