SCHEMBL8250475

SCHEMBL8250475

Cc1cc(Cl)c(OCCOc2ccc(CC(CN)C(=O)NCc3cc(C(F)(F)F)ccc3C(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.49
CYP3A4 P08684 3/20 0.49
KCNH2 Q12809 1/20 0.43
PPARG P37231 5/20 0.42
EPHX2 P34913 4/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL664064 0.83 REN (0.70) RENCYP3A4
SCHEMBL8250188 0.81 REN (0.63) RENCYP3A4KCNH2
SCHEMBL8248202 0.81 REN (0.55) RENCYP3A4KCNH2
SCHEMBL8241206 0.81 REN (0.54) RENCYP3A4KCNH2
SCHEMBL8249798 0.81 REN (0.56) RENCYP3A4KCNH2
SCHEMBL8247212 0.80 REN (0.49) RENCYP3A4KCNH2
SCHEMBL8246855 0.80 REN (0.64) RENCYP3A4KCNH2
SCHEMBL10186757 0.77 REN (0.71) RENCYP3A4
SCHEMBL8246179 0.76 REN (0.56) RENCYP3A4KCNH2
SCHEMBL8247993 0.75 REN (0.50) RENCYP3A4KCNH2

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
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed