SCHEMBL5069408

SCHEMBL5069408

Cc1cc(Cl)c(OCCOc2ccc(CC(CN)C(=O)N(Cc3ncccc3O)C3CC3)cc2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.67
CYP3A4 P08684 4/20 0.67

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
SCHEMBL5071363 0.89 CYP3A4 (0.79) RENCYP3A4
SCHEMBL664460 0.88 REN (0.68) RENCYP3A4
SCHEMBL664223 0.88 REN (0.68) RENCYP3A4
SCHEMBL5069697 0.87 CYP3A4 (0.77) RENCYP3A4
SCHEMBL663349 0.86 REN (0.71) RENCYP3A4
SCHEMBL663466 0.86 REN (0.73) RENCYP3A4
SCHEMBL661927 0.86 REN (0.68) RENCYP3A4
SCHEMBL662754 0.83 REN (0.85) RENCYP3A4
SCHEMBL660892 0.83 REN (0.69) RENCYP3A4
SCHEMBL662969 0.83 REN (0.73) 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 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 claimed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO claimed