SCHEMBL4598172

SCHEMBL4598172

COCCOCc1ccc(C2=C(C(=O)N(Cc3c(F)ccc(F)c3Cl)C3CC3)CN(C(=O)OC(C)(C)C)CC2(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.39
GPR119 Q8TDV5 8/20 0.35
CYP3A4 P08684 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL8450949 0.81 REN (0.57) RENCYP3A4
SCHEMBL4598109 0.79 TACR1 (0.35) GPR119
SCHEMBL4598388 0.78 ADORA1 (0.34) GPR119
SCHEMBL8450331 0.77 REN (0.57) RENCYP3A4
SCHEMBL8450946 0.77 REN (0.58) RENCYP3A4
SCHEMBL4598184 0.77 GPR119 (0.38) RENGPR119CYP3A4HTR2A
SCHEMBL4598190 0.70 REN (0.35) RENGPR119CYP3A4
SCHEMBL4941015 0.69 REN (0.44) RENCYP3A4
SCHEMBL4939031 0.68 REN (0.44) RENCYP3A4
SCHEMBL8231181 0.67 REN (0.66) RENCYP3A4

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