SCHEMBL3678260

SCHEMBL3678260

CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 1.00
SLC6A4 P31645 19/20 1.00
SLC6A3 Q01959 19/20 1.00
KCNH2 Q12809 9/20 1.00
CYP2D6 P10635 7/20 0.69
CYP3A4 P08684 6/20 0.69
AOC3 Q16853 1/20 0.54

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
SCHEMBL3682070 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL13283370 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3679703 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3681883 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3675579 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12018308 0.90 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12018303 0.90 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12018305 0.90 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12018309 0.90 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12018306 0.90 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027869-A1 Amine compounds and inhibiting neurotransmitter reuptake VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2003-02-06 US claimed
US-20100168246-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE RICHELSON ELLIOTT 2010-07-01 US disclosed
US-20080275272-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE RICHELSON ELLIOTT 2008-11-06 US disclosed
US-6914080-B2 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2005-07-05 US disclosed
US-6700018-B2 3-HYDROXY-2-(2-NAPHTHYL)PENTYLAMINE DERIVATIVES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-03-02 US disclosed
US-20030027869-A1 Amine compounds and inhibiting neurotransmitter reuptake VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2003-02-06 US disclosed