SCHEMBL4598190

SCHEMBL4598190

COC(c1ccc(C2=C(C(=O)N(Cc3c(F)ccc(F)c3Cl)C3CC3)CN(C(=O)OC(C)(C)C)CC2)cc1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.35
GPR119 Q8TDV5 15/20 0.34
CYP3A4 P08684 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
SCHEMBL4598184 0.83 GPR119 (0.38) RENGPR119CYP3A4
SCHEMBL4597034 0.78 ESR2 (0.39) GPR119
SCHEMBL4598118 0.77 NR1H2 (0.41) GPR119
SCHEMBL5942072 0.73 GPR119 (0.42) RENGPR119CYP3A4
SCHEMBL13490819 0.72 USP30 (0.41) GPR119
SCHEMBL5941459 0.70 GPR119 (0.42) RENGPR119CYP3A4
SCHEMBL5941911 0.70 CYP3A4 (0.55) RENCYP3A4
SCHEMBL5942374 0.70 REN (0.47) RENGPR119CYP3A4
SCHEMBL5941856 0.70 CYP3A4 (0.46) RENGPR119CYP3A4
SCHEMBL5942272 0.70 REN (0.40) RENGPR119CYP3A4

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