SCHEMBL7902090

SCHEMBL7902090

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)NC(=O)OC(C)(C)C)C2)cc2cccc(F)c21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.32
KLK5 Q9Y337 1/20 0.32
REN P00797 7/20 0.32
CYP3A4 P08684 3/20 0.31
AAK1 Q2M2I8 1/20 0.30
SCN9A Q15858 1/20 0.30
PADI4 Q9UM07 1/20 0.30
HRH3 Q9Y5N1 3/20 0.30
ACE P12821 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 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
SCHEMBL7902463 0.92 USP30 (0.33) USP30KLK5AAK1SCN9AITGB3
SCHEMBL7898296 0.91 CNR2 (0.33) USP30KLK5RENCYP3A4AAK1
SCHEMBL7897738 0.90 PADI4 (0.37) USP30KLK5AAK1SCN9APADI4
SCHEMBL7889785 0.89 L3MBTL1 (0.32) USP30KLK5RENCYP3A4AAK1
SCHEMBL7900607 0.89 L3MBTL1 (0.32) USP30KLK5RENCYP3A4AAK1
SCHEMBL7902535 0.88 USP30 (0.32) USP30KLK5RENCYP3A4AAK1
SCHEMBL7898919 0.85 USP30 (0.32) USP30KLK5AAK1SCN9A
SCHEMBL2790479 0.84 ALDH1A1 (0.31) REN
SCHEMBL2790483 0.84 ALDH1A1 (0.31) REN
SCHEMBL762754 0.83 HRH1 (0.38) USP30KLK5CYP3A4HRH1

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