SCHEMBL3672980

SCHEMBL3672980

CNC[C@H](c1cccc2ccccc12)[C@@H](O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.59
SLC6A2 P23975 19/20 0.59
SLC6A3 Q01959 18/20 0.59
KCNH2 Q12809 13/20 0.59
CYP3A4 P08684 11/20 0.56
CYP2D6 P10635 11/20 0.56

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
SCHEMBL3679307 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL4893814 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3679683 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL4901022 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3687025 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3680464 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL12004805 0.88 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL12018331 0.88 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL12018332 0.88 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3671168 0.81 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6700018-B2 3-HYDROXY-2-(2-NAPHTHYL)PENTYLAMINE DERIVATIVES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-03-02 US claimed
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