SCHEMBL4665129

SCHEMBL4665129

CC(C)COC(=O)N1CCC(Cc2ccncc2N)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GRIN2B Q13224 7/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP3A4 P08684 3/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HDAC2 Q92769 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4665126 0.82 GPR119 (0.52) GPR119
SCHEMBL5220949 0.82 PRMT5 (0.47) GPR119GRIN2BCYP2D6CYP2C9PRMT5
SCHEMBL4663367 0.80 GPR119 (0.41) GPR119JAK2JAK1TLR9TLR8
SCHEMBL4666838 0.78 GRIN2B (0.44) JAK2JAK1GRIN2B
SCHEMBL4663071 0.74 JAK2 (0.38) GPR119JAK2JAK1TLR9TLR8
SCHEMBL389296 0.72 GRIN2B (0.43) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL2894884 0.71 TPSAB1 (0.47) GPR119JAK2JAK1MEN1HPGD
SCHEMBL4666791 0.70 GPR119 (0.37) GPR119JAK2JAK1TLR9TLR8
SCHEMBL1693216 0.70 RAB9A (0.48) GPR119JAK2JAK1CYP3A4MEN1
SCHEMBL10089204 0.70 RAB9A (0.48) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed