SCHEMBL8249798

SCHEMBL8249798

Cc1cc(Cl)c(OCCOc2ccc(CC(CN)C(=O)NCc3cccc(C)c3C)cc2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.56
KCNH2 Q12809 1/20 0.51
CYP3A4 P08684 2/20 0.51

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
SCHEMBL8248202 0.90 REN (0.55) RENKCNH2CYP3A4
SCHEMBL8241206 0.86 REN (0.54) RENKCNH2CYP3A4
SCHEMBL8250188 0.85 REN (0.63) RENKCNH2CYP3A4
SCHEMBL8251233 0.83 REN (0.52) RENKCNH2CYP3A4
SCHEMBL8246855 0.83 REN (0.64) RENKCNH2CYP3A4
SCHEMBL8248013 0.82 REN (0.60) RENKCNH2CYP3A4
SCHEMBL8247314 0.82 REN (0.48) RENKCNH2CYP3A4
SCHEMBL8252446 0.82 REN (0.48) RENKCNH2CYP3A4
SCHEMBL8250107 0.81 REN (0.66) RENCYP3A4
SCHEMBL8246179 0.81 REN (0.56) RENKCNH2CYP3A4

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