SCHEMBL5067309

SCHEMBL5067309

COCCCc1cc(CN(C(=O)C(C)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC)n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.60
CYP3A4 P08684 8/20 0.60
KCNH2 Q12809 5/20 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
SCHEMBL5069689 0.95 REN (0.64) RENCYP3A4KCNH2
SCHEMBL5069678 0.92 REN (0.61) RENCYP3A4KCNH2
SCHEMBL663820 0.91 REN (0.74) RENCYP3A4KCNH2
SCHEMBL661960 0.85 REN (0.80) RENCYP3A4KCNH2
SCHEMBL661828 0.83 REN (0.69) RENCYP3A4KCNH2
SCHEMBL663669 0.83 REN (0.75) RENCYP3A4KCNH2
SCHEMBL660729 0.82 REN (0.68) RENCYP3A4KCNH2
SCHEMBL5071357 0.82 REN (0.60) RENCYP3A4KCNH2
SCHEMBL12136643 0.82 REN (0.67) RENCYP3A4KCNH2
SCHEMBL4344349 0.81 REN (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed