SCHEMBL4162415

SCHEMBL4162415

CC(C)(C)OC(=O)N(c1ccc(Br)cc1F)c1ncnc(Cl)c1CCO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.35
AAK1 Q2M2I8 4/20 0.34
MAP2K1 Q02750 2/20 0.32
EGFR P00533 1/20 0.31
AURKB Q96GD4 1/20 0.31
FPR2 P25090 1/20 0.31
PDPK1 O15530 1/20 0.30

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
SCHEMBL3929097 0.88 AAK1 (0.32) AAK1
SCHEMBL4172027 0.87 AAK1 (0.33) SSTR4AAK1EGFRAURKB
SCHEMBL3941385 0.86 GPR119 (0.37)
SCHEMBL4502806 0.85 MAP2K1 (0.33) MAP2K1
SCHEMBL3937105 0.81 AAK1 (0.32) AAK1
SCHEMBL3929669 0.77 GPR119 (0.36)
SCHEMBL3934886 0.75 GPR119 (0.37)
SCHEMBL3934441 0.74 GPR119 (0.38)
SCHEMBL3930864 0.74 GPR119 (0.36)
SCHEMBL4162417 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043744-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2009-04-08 EP disclosed
WO-2008008895-A1 GPR119 AGONISTS FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed
WO-2008008887-A2 GPR119 AGONISTS FOR TREATING METABOLIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed