SCHEMBL4598184

SCHEMBL4598184

CC(C)(C)OC(=O)N1CCC(c2ccc(COCC3CC3)cc2)=C(C(=O)N(Cc2c(F)ccc(F)c2Cl)C2CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.38
REN P00797 10/20 0.37
CYP3A4 P08684 2/20 0.37
HTR2A P28223 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
SCHEMBL4598190 0.83 REN (0.35) GPR119RENCYP3A4
SCHEMBL4597030 0.79 ESR2 (0.40) GPR119
SCHEMBL4598116 0.77 NR1H2 (0.42) GPR119
SCHEMBL4598172 0.77 REN (0.39) GPR119RENCYP3A4HTR2A
SCHEMBL13490819 0.72 USP30 (0.41) GPR119
SCHEMBL5941459 0.72 GPR119 (0.42) GPR119RENCYP3A4HTR2A
SCHEMBL5942072 0.72 GPR119 (0.42) GPR119RENCYP3A4
SCHEMBL5942374 0.72 REN (0.47) GPR119RENCYP3A4
SCHEMBL8263840 0.71 JAK2 (0.42) GPR119
SCHEMBL8264180 0.71 JAK2 (0.43) GPR119REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908471-A1 Tetrahydropyridines as renin inhibitors Speedel Experimenta AG (CH) 2008-04-09 EP disclosed