SCHEMBL2814775

SCHEMBL2814775

CCNC(=O)Nc1ccc(CC(CC(=O)N2CCCC(c3c(C)c4ccccc4n3CCCOC)C2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.37
CNR2 P34972 2/20 0.35
KLK5 Q9Y337 1/20 0.35
PABPC1 P11940 1/20 0.34
FPR2 P25090 1/20 0.33
ACE P12821 1/20 0.33
PADI4 Q9UM07 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
NAMPT P43490 1/20 0.32
CMA1 P23946 1/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
REN P00797 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2814776 1.00 PROKR1 (0.37) PROKR1CNR2KLK5PABPC1FPR2
SCHEMBL7902566 0.93 PROKR1 (0.38) PROKR1CNR2KLK5PABPC1ACE
SCHEMBL7893430 0.93 USP30 (0.36) PROKR1CNR2KLK5PABPC1FPR2
SCHEMBL2788344 0.93 PROKR1 (0.38) PROKR1CNR2KLK5PABPC1ACE
SCHEMBL7897770 0.91 PROKR1 (0.37) PROKR1CNR2KLK5PABPC1ACE
SCHEMBL7891211 0.89 PROKR1 (0.42) PROKR1CNR2KLK5ACEPADI4
SCHEMBL7899697 0.89 PROKR1 (0.39) PROKR1CNR2KLK5FPR2ACE
SCHEMBL2790426 0.87 PROKR1 (0.42) PROKR1CNR2FPR2ITGB1ITGA4
SCHEMBL2790427 0.87 PROKR1 (0.42) PROKR1CNR2FPR2ITGB1ITGA4
SCHEMBL2814433 0.87 PROKR1 (0.39) PROKR1CNR2KLK5ACEPADI4

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