SCHEMBL7901247

SCHEMBL7901247

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccc(O)nc4)cc3)NC(=O)OC(C)(C)C)C2)cc2c(O)cccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
ATM Q13315 1/20 0.33
KLK5 Q9Y337 1/20 0.33
PADI4 Q9UM07 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
PTPN1 P18031 5/20 0.31
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
ACE P12821 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
PRMT5 O14744 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2789519 0.87 CNR2 (0.36) CNR2HRH2HRH1
SCHEMBL7898298 0.86 WNT3A (0.32) CNR2ATMKLK5PADI4HRH2
SCHEMBL7901623 0.84 ALOX5AP (0.33) ATMKLK5HRH2HRH1CCNK
SCHEMBL7898758 0.83 CNR2 (0.36) CNR2KLK5PADI4HRH2HRH1
SCHEMBL7891178 0.83 CNR2 (0.36) CNR2KLK5PADI4HRH2HRH1
SCHEMBL7896622 0.83 CNR2 (0.35) CNR2KLK5PADI4HRH2HRH1
SCHEMBL7901244 0.82 HTR6 (0.34) CNR2KLK5HRH2HRH1PTPN1
SCHEMBL2790219 0.81 PADI4 (0.41) CNR2KLK5PADI4HRH2HRH1
SCHEMBL2791310 0.81 CNR2 (0.36) CNR2
SCHEMBL7898510 0.81 ATM (0.33) ATMKLK5PADI4HRH2HRH1

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