SCHEMBL5573266

SCHEMBL5573266

CN1Cc2cc(Cn3cccc3)ccc2C(c2cc3ccccc3[nH]2)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.47
SLC6A3 Q01959 19/20 0.47
SLC6A2 P23975 18/20 0.47
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL4303865 0.87 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2HRH4
SCHEMBL4310335 0.86 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2
SCHEMBL4310386 0.86 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2HRH4
SCHEMBL4306991 0.84 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2HRH4
SCHEMBL4306429 0.84 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL4306728 0.84 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2HRH4
SCHEMBL4309427 0.81 SLC6A2 (0.61) SLC6A4SLC6A3SLC6A2
SCHEMBL4310233 0.81 SLC6A2 (0.57) SLC6A4SLC6A3SLC6A2
SCHEMBL4306436 0.80 SLC6A2 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL4312773 0.80 SLC6A2 (0.62) 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-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