SCHEMBL7898296

SCHEMBL7898296

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)NC(=O)OC(C)(C)C)C2)cc2c(F)cccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
USP30 Q70CQ3 1/20 0.32
KLK5 Q9Y337 1/20 0.32
REN P00797 7/20 0.32
CYP3A4 P08684 3/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
SCN9A Q15858 1/20 0.31
PADI4 Q9UM07 1/20 0.31
ACE P12821 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30

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
SCHEMBL2814043 0.92 CNR2 (0.34) CNR2RENCYP3A4
SCHEMBL2814040 0.92 CNR2 (0.34) CNR2RENCYP3A4
SCHEMBL7902463 0.92 USP30 (0.33) USP30KLK5PRMT5WDR77AAK1
SCHEMBL7902090 0.91 USP30 (0.32) USP30KLK5RENCYP3A4AAK1
SCHEMBL7897738 0.91 PADI4 (0.37) CNR2USP30KLK5AAK1SCN9A
SCHEMBL7891178 0.90 CNR2 (0.36) CNR2KLK5RENCYP3A4SCN9A
SCHEMBL7896622 0.90 CNR2 (0.35) CNR2KLK5RENCYP3A4AAK1
SCHEMBL7902535 0.87 USP30 (0.32) USP30KLK5RENCYP3A4AAK1
SCHEMBL762754 0.85 HRH1 (0.38) USP30KLK5CYP3A4HRH1
SCHEMBL7898298 0.85 WNT3A (0.32) CNR2KLK5RENCYP3A4PADI4

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed