SCHEMBL5309346

SCHEMBL5309346

Cc1cc(Cl)c(OCCOc2ccc(C3CNCC3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.88
CYP3A4 P08684 11/20 0.88

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
SCHEMBL3091553 0.94 REN (1.00) RENCYP3A4
SCHEMBL3091547 0.94 REN (1.00) RENCYP3A4
SCHEMBL5335170 0.87 REN (0.72) RENCYP3A4
SCHEMBL5329807 0.87 REN (0.72) RENCYP3A4
SCHEMBL5313278 0.87 REN (0.72) RENCYP3A4
SCHEMBL3080876 0.85 REN (0.84) RENCYP3A4
SCHEMBL5307833 0.84 REN (0.71) RENCYP3A4
Hydrochloric Acid SCHEMBL700661 0.84 REN (0.77) RENCYP3A4
SCHEMBL2788513 0.84 REN (0.77) RENCYP3A4
SCHEMBL694821 0.84 REN (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007034406-A1 PYRROLIDINE-3-CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF RENIN ACTELION PHARMACEUTICALS LTD (CH) 2007-03-29 WO disclosed