SCHEMBL4032267

SCHEMBL4032267

CCc1cccc(-c2c(Cl)cccc2[C@](O)(CCCNC(=O)O)C2CCCN(C(=O)c3ccc(CNC)cc3)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.67
CYP3A4 P08684 9/20 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
SCHEMBL2840832 1.00 REN (0.67) RENCYP3A4
SCHEMBL2840835 1.00 REN (0.67) RENCYP3A4
SCHEMBL3115470 0.95 REN (0.67) RENCYP3A4
SCHEMBL2850125 0.95 REN (0.67) RENCYP3A4
SCHEMBL2842466 0.95 REN (0.67) RENCYP3A4
SCHEMBL3111606 0.95 REN (0.67) RENCYP3A4
SCHEMBL3116302 0.95 REN (0.67) RENCYP3A4
SCHEMBL3114822 0.95 REN (0.67) RENCYP3A4
SCHEMBL3114550 0.95 REN (0.67) RENCYP3A4
SCHEMBL3111612 0.95 REN (0.67) 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-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed