SCHEMBL5140950

SCHEMBL5140950

CCC1(C(=O)O)CC1CNCC(Cc1ccccc1OCCOc1c(Cl)cc(C)cc1Cl)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.53
CYP3A4 P08684 4/20 0.44

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
SCHEMBL1354881 0.86 REN (0.56) RENCYP3A4
SCHEMBL669760 0.84 REN (0.54) RENCYP3A4
SCHEMBL4558781 0.82 REN (0.55) RENCYP3A4
SCHEMBL4560396 0.82 REN (0.55) RENCYP3A4
SCHEMBL663165 0.76 REN (0.63) RENCYP3A4
SCHEMBL664243 0.74 REN (0.60) RENCYP3A4
SCHEMBL662482 0.74 REN (0.66) RENCYP3A4
SCHEMBL4347863 0.74 REN (0.75) RENCYP3A4
SCHEMBL663423 0.73 REN (0.64) RENCYP3A4
SCHEMBL664138 0.73 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 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