SCHEMBL5570107

SCHEMBL5570107

CN1Cc2cc(Cn3cccc3)ccc2C(c2ccc3cn[nH]c3c2)C1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 20/20 0.68
SLC6A4 P31645 19/20 0.68
SLC6A2 P23975 19/20 0.68

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
SCHEMBL4318583 0.86 SLC6A4 (0.65) SLC6A3SLC6A4SLC6A2
SCHEMBL4306954 0.86 SLC6A4 (0.64) SLC6A3SLC6A4SLC6A2
SCHEMBL5569840 0.85 SLC6A3 (0.66) SLC6A3SLC6A4SLC6A2
SCHEMBL4309112 0.84 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2
SCHEMBL4308813 0.84 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2
SCHEMBL4305303 0.84 SLC6A4 (0.62) SLC6A3SLC6A4SLC6A2
SCHEMBL4302991 0.81 SLC6A2 (0.76) SLC6A3SLC6A4SLC6A2
SCHEMBL4306933 0.81 SLC6A2 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL4306409 0.81 SLC6A2 (0.74) SLC6A3SLC6A4SLC6A2
SCHEMBL4307958 0.81 SLC6A2 (0.74) SLC6A3SLC6A4SLC6A2

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 disclosed
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 disclosed