SCHEMBL8250107

SCHEMBL8250107

Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)NCc3cccc(Cl)c3Cl)cc2)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.66
CYP3A4 P08684 3/20 0.54

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
SCHEMBL8248013 0.95 REN (0.60) RENCYP3A4
SCHEMBL8247195 0.93 REN (0.60) RENCYP3A4
SCHEMBL8248202 0.91 REN (0.55) RENCYP3A4
SCHEMBL8249943 0.86 REN (0.66) RENCYP3A4
SCHEMBL8251233 0.84 REN (0.52) RENCYP3A4
SCHEMBL8249798 0.81 REN (0.56) RENCYP3A4
SCHEMBL8248261 0.80 REN (0.55) RENCYP3A4
SCHEMBL661727 0.80 REN (1.00) RENCYP3A4
SCHEMBL8241206 0.78 REN (0.54) RENCYP3A4
SCHEMBL8246855 0.77 REN (0.64) 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
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed