SCHEMBL4660108

SCHEMBL4660108

COCCN(C(=O)OC(C)(C)C)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.42
SLC6A2 P23975 12/20 0.42
SLC6A3 Q01959 7/20 0.34
CYP2D6 P10635 3/20 0.34
KCNH2 Q12809 3/20 0.33
REN P00797 1/20 0.33
KMT2A Q03164 1/20 0.32
PYGL P06737 1/20 0.31
CHRM3 P20309 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL31210513 0.92 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL31210650 0.92 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL21043411 0.90 KMT2A (0.34) KMT2APYGLDCUN1D1L3MBTL1
SCHEMBL6118690 0.85 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL20674336 0.85 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL20524324 0.85 PYGL (0.32) SLC6A4SLC6A2SLC6A3CYP2D6REN
SCHEMBL4658920 0.84 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL8480570 0.83 MEN1 (0.36) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL13207042 0.83 PIK3CD (0.40) KMT2ADCUN1D1L3MBTL1
SCHEMBL21298613 0.83 SMYD3 (0.33) KMT2ADCUN1D1L3MBTL1

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
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2012066077-A1 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2012-05-24 WO disclosed
CN-101437820-A Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC (US) 2009-05-20 CN disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO disclosed