SCHEMBL8450949

SCHEMBL8450949

COCCOCc1ccc(C2=C(C(=O)N(Cc3c(F)ccc(F)c3Cl)C3CC3)CNCC2(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.57
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 2/20 0.35
CTSD P07339 1/20 0.34
CTSE P14091 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
SCHEMBL8450331 0.92 REN (0.57) RENCYP3A4KCNH2CTSDCTSE
SCHEMBL8450946 0.92 REN (0.58) RENCYP3A4KCNH2CTSDCTSE
SCHEMBL4598172 0.81 REN (0.39) RENCYP3A4
SCHEMBL4611135 0.76 REN (0.36) REN
SCHEMBL8450075 0.76 REN (0.54) RENCYP3A4CTSDCTSE
SCHEMBL8471262 0.73 REN (0.56) RENCYP3A4CTSDCTSE
SCHEMBL4938126 0.73 REN (1.00) RENCYP3A4CTSDCTSE
SCHEMBL8471487 0.71 REN (0.59) RENCYP3A4CTSDCTSE
SCHEMBL4610652 0.67 REN (0.36) REN
SCHEMBL4934349 0.66 REN (1.00) RENCYP3A4CTSDCTSE

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