SCHEMBL7891183

SCHEMBL7891183

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)C2)cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 3/20 0.40
KLK5 Q9Y337 1/20 0.38
PROKR1 Q8TCW9 6/20 0.37
ACE P12821 1/20 0.35
CNR2 P34972 2/20 0.35
CACNA1B Q00975 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
SCN9A Q15858 1/20 0.34
ATM Q13315 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL2817635 0.91 PROKR1 (0.39) PADI4PROKR1CNR2
SCHEMBL2791612 0.91 PROKR1 (0.39) PADI4PROKR1CNR2
SCHEMBL2790219 0.91 PADI4 (0.41) PADI4KLK5PROKR1ACECNR2
SCHEMBL7896622 0.89 CNR2 (0.35) PADI4KLK5ACECNR2CACNA1B
SCHEMBL7900939 0.89 TP53 (0.37) PADI4KLK5PROKR1ACECNR2
SCHEMBL7893386 0.89 PROKR1 (0.38) PADI4KLK5PROKR1ACECACNA1B
SCHEMBL7897738 0.88 PADI4 (0.37) PADI4KLK5PROKR1ACECNR2
SCHEMBL7897490 0.88 PADI4 (0.41) PADI4KLK5PROKR1CNR2HRH2
SCHEMBL762674 0.88 HRH1 (0.41) KLK5HRH1
SCHEMBL7901244 0.87 HTR6 (0.34) KLK5CNR2CACNA1BHRH2HRH1

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