SCHEMBL7901541

SCHEMBL7901541

Bc1ccc(C[C@H](CC(=O)N2CCCC(c3cc4ccccc4n3CCCOC3CCCCO3)C2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 3/20 0.36
PROKR1 Q8TCW9 6/20 0.35
KLK5 Q9Y337 1/20 0.34
ACE P12821 1/20 0.34
SCN9A Q15858 1/20 0.34
CNR2 P34972 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
REN P00797 1/20 0.32
P2RX3 P56373 2/20 0.32
ATM Q13315 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL7900021 0.89 PROKR1 (0.34) PADI4PROKR1KLK5SCN9AHRH2
SCHEMBL2791987 0.86 PROKR1 (0.35) PROKR1P2RX3ITGB3ITGA2B
SCHEMBL7891183 0.85 PADI4 (0.40) PADI4PROKR1KLK5ACESCN9A
SCHEMBL2790219 0.83 PADI4 (0.41) PADI4PROKR1KLK5ACECNR2
SCHEMBL7900016 0.82 PROKR1 (0.42) PADI4PROKR1SCN9ACNR2
SCHEMBL7897738 0.82 PADI4 (0.37) PADI4PROKR1KLK5ACESCN9A
SCHEMBL7898758 0.81 CNR2 (0.36) PADI4KLK5ACESCN9ACNR2
SCHEMBL7891178 0.81 CNR2 (0.36) PADI4KLK5ACESCN9ACNR2
SCHEMBL7897490 0.81 PADI4 (0.41) PADI4PROKR1KLK5CNR2HRH2
SCHEMBL7900939 0.80 TP53 (0.37) PADI4PROKR1KLK5ACESCN9A

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