SCHEMBL2813840

SCHEMBL2813840

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)c(C)c2cccc(F)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.36
REN P00797 8/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
PPIB P23284 1/20 0.33
CYP3A4 P08684 2/20 0.33
SCN9A Q15858 3/20 0.32
ACE P12821 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7890024 1.00 KLK5 (0.36) KLK5RENALOX5APFEN1PROKR1
SCHEMBL2813838 1.00 KLK5 (0.36) KLK5RENALOX5APFEN1PROKR1
SCHEMBL7905913 0.94 CACNA1B (0.35) KLK5RENCYP3A4SCN9AACE
SCHEMBL7891211 0.90 PROKR1 (0.42) KLK5RENPROKR1PPIBCYP3A4
SCHEMBL7902535 0.89 USP30 (0.32) KLK5RENCYP3A4SCN9AALDH1A1
SCHEMBL7897503 0.89 SCN9A (0.32) KLK5RENALOX5APFEN1CYP3A4
SCHEMBL2791534 0.88 MMP13 (0.34) KLK5PROKR1CYP3A4ALDH1A1
SCHEMBL7901258 0.88 PABPC1 (0.33) KLK5HRH2HRH1ITGB3ITGA2B
SCHEMBL7897783 0.88 PABPC1 (0.33) KLK5
SCHEMBL7900833 0.88 PABPC1 (0.34) KLK5ACEHRH2HRH1ALDH1A1

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