SCHEMBL3984467

SCHEMBL3984467

COCCCOc1cc(CC(C[C@@H]2CNC[C@H]2CN(C(=O)[C@@H](O)C(C)C)C2CC2)C(C)C)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.51
HTR1A P08908 2/20 0.48
ADRA1D P25100 2/20 0.48
HTR2A P28223 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
HTR2B P41595 2/20 0.48
KCNH2 Q12809 2/20 0.48

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
SCHEMBL4305025 1.00 REN (0.51) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL4305013 1.00 REN (0.51) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL4302820 0.87 REN (0.55) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL4302817 0.87 REN (0.55) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3920929 0.87 REN (0.55) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL4296754 0.86 REN (0.55) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3918706 0.85 REN (0.55) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3913621 0.85 REN (0.48) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3913619 0.85 REN (0.48) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL4306599 0.85 REN (0.48) RENHTR1AADRA1DHTR2AADRA1A

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-2032530-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2009-03-11 EP disclosed
WO-2007144128-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-12-21 WO disclosed