SCHEMBL4740538

SCHEMBL4740538

COCCCc1ccc(Cl)c(CN(C(=O)C2=C(c3ccc(OCc4cc(-c5c(F)ccc(F)c5Cl)no4)nc3)CC3CN(C(=O)OC(C)(C)C)CC2N3C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.55
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4740550 1.00 REN (0.55) RENCYP3A4
SCHEMBL4740545 0.97 REN (0.54) RENCYP3A4
SCHEMBL4806656 0.87 REN (0.61) RENCYP3A4
SCHEMBL4806679 0.87 REN (0.61) RENCYP3A4
SCHEMBL4806650 0.87 REN (0.61) RENCYP3A4
SCHEMBL1751251 0.87 REN (0.56) RENCYP3A4
SCHEMBL1751751 0.80 REN (0.59) RENCYP3A4
SCHEMBL1751261 0.78 REN (0.50) RENCYP3A4
SCHEMBL1751259 0.78 REN (0.50) RENCYP3A4
SCHEMBL1751959 0.78 REN (0.50) 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-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO disclosed