SCHEMBL4785977

SCHEMBL4785977

COCCCc1ccc(Cl)c(CN(C(=O)C2=C(c3ccc(OCCOc4c(Cl)cc(C)cc4Cl)cc3)C[C@@H]3CCC2N3C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.63
CYP3A4 P08684 5/20 0.56

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
SCHEMBL4785962 1.00 REN (0.63) RENCYP3A4
SCHEMBL4785966 1.00 REN (0.63) RENCYP3A4
SCHEMBL1751967 0.93 REN (0.65) RENCYP3A4
SCHEMBL1750971 0.87 REN (0.47) RENCYP3A4
SCHEMBL1751845 0.87 REN (0.47) RENCYP3A4
SCHEMBL1751843 0.87 REN (0.47) RENCYP3A4
SCHEMBL1750969 0.87 REN (0.47) RENCYP3A4
SCHEMBL1752181 0.83 REN (0.70) RENCYP3A4
SCHEMBL1751089 0.83 REN (0.49) RENCYP3A4
SCHEMBL5455029 0.82 REN (0.47) 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