SCHEMBL533844

SCHEMBL533844

Cc1cccc(-c2noc(C3CN(C(=O)OC(C)(C)C)CCC3(O)c3ccc(F)c(F)c3)c2Br)c1C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.63
KCNH2 Q12809 10/20 0.63
CYP3A4 P08684 9/20 0.63
RORC P51449 2/20 0.36
ALK Q9UM73 1/20 0.36
USP30 Q70CQ3 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL555594 1.00 REN (0.63) RENKCNH2CYP3A4RORCALK
SCHEMBL3719090 0.90 REN (0.68) RENKCNH2CYP3A4
SCHEMBL555742 0.89 REN (0.62) RENKCNH2CYP3A4RORCALK
SCHEMBL555657 0.89 REN (0.62) RENKCNH2CYP3A4RORCALK
SCHEMBL555815 0.89 REN (0.61) RENKCNH2CYP3A4RORCALK
SCHEMBL556767 0.88 REN (0.48) RENKCNH2CYP3A4RORCALK
SCHEMBL557228 0.88 REN (0.53) RENKCNH2CYP3A4RORCALK
SCHEMBL557036 0.87 REN (0.60) RENKCNH2CYP3A4RORC
SCHEMBL556026 0.86 REN (0.56) RENKCNH2CYP3A4RORCALK
SCHEMBL556815 0.86 REN (0.52) RENKCNH2CYP3A4RORCALK

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
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed