SCHEMBL5262266

SCHEMBL5262266

CC(Oc1cc(C#N)ccn1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.48
MGLL Q99685 1/20 0.44
HCRTR2 O43614 4/20 0.40
HCRTR1 O43613 2/20 0.40
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 4/20 0.39
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM1A O60341 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL447841 0.84 MGLL (0.50) MAP3K12MGLLHCRTR2HCRTR1HRH3
SCHEMBL5259180 0.82 SLC6A2 (0.44) MAP3K12MGLLSLC6A2SLC6A4SLC6A3
SCHEMBL6263952 0.82 SLC6A4 (0.48) MAP3K12SLC6A2SLC6A4SLC6A3IRAK4
SCHEMBL3924934 0.81 ACACB (0.47) MAP3K12MGLLHCRTR2HCRTR1HRH3
SCHEMBL6263948 0.81 SLC6A4 (0.37) MAP3K12SLC6A2SLC6A4SLC6A3IRAK4
SCHEMBL5263926 0.81 MGLL (0.40) MAP3K12MGLLHCRTR2HCRTR1HRH3
SCHEMBL448817 0.78 SLC6A4 (0.36) MAP3K12SLC6A2SLC6A4SLC6A3IRAK4
SCHEMBL5260233 0.77 LOXL2 (0.50) SLC6A2SLC6A4SLC6A3IRAK4
SCHEMBL27227366 0.77 ROCK1 (0.46) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL27571943 0.76 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
CN-1671700-A Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2005-09-21 CN disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed