SCHEMBL5260233

SCHEMBL5260233

CC(Oc1cc(CN)ccn1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 10/20 0.50
LOX P28300 6/20 0.50
IRAK4 Q9NWZ3 1/20 0.37
LOXL3 P58215 1/20 0.36
EP300 Q09472 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CSNK2A1 P68400 1/20 0.35
HTR6 P50406 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
SCHEMBL6263952 0.81 SLC6A4 (0.48) IRAK4SLC6A2SLC6A4SLC6A3TLR9
SCHEMBL25300735 0.80 LOXL2 (0.66) LOXL2LOXLOXL3CSNK2A1
SCHEMBL6263948 0.80 SLC6A4 (0.37) IRAK4SLC6A2SLC6A4SLC6A3TLR9
SCHEMBL6223830 0.78 LOXL2 (0.49) LOXL2LOXIRAK4LOXL3CSNK2A1
SCHEMBL5262266 0.77 MAP3K12 (0.48) IRAK4SLC6A2SLC6A4SLC6A3
SCHEMBL448817 0.77 SLC6A4 (0.36) IRAK4SLC6A2SLC6A4SLC6A3TLR9
SCHEMBL27571943 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL23868364 0.73 IRAK4 (0.44) IRAK4SLC6A4
SCHEMBL25209760 0.71 LOXL2 (0.57) LOXL2LOXLOXL3CSNK2A1
SCHEMBL30931754 0.71 LOXL2 (0.57) LOXL2LOXLOXL3CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1313464-C Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2007-05-02 CN disclosed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
EP-1519921-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-04-06 EP disclosed
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 WO disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed