SCHEMBL7902566

SCHEMBL7902566

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(NC(=O)OC)cc3)NC(=O)OC(C)(C)C)C2)c(C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.38
KLK5 Q9Y337 1/20 0.36
CNR2 P34972 2/20 0.36
ACE P12821 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
PABPC1 P11940 1/20 0.34
PADI4 Q9UM07 1/20 0.34
CMA1 P23946 1/20 0.33
SCN9A Q15858 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
DRD2 P14416 1/20 0.33
ATM Q13315 1/20 0.33
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL2788344 0.94 PROKR1 (0.38) PROKR1KLK5CNR2ACEHRH2
SCHEMBL7897770 0.94 PROKR1 (0.37) PROKR1KLK5CNR2ACEHRH2
SCHEMBL7893430 0.93 USP30 (0.36) PROKR1KLK5CNR2ACEHRH2
SCHEMBL2814776 0.93 PROKR1 (0.37) PROKR1KLK5CNR2ACEHRH2
SCHEMBL2814775 0.93 PROKR1 (0.37) PROKR1KLK5CNR2ACEHRH2
SCHEMBL7899697 0.92 PROKR1 (0.39) PROKR1KLK5CNR2ACEHRH2
SCHEMBL7891211 0.92 PROKR1 (0.42) PROKR1KLK5CNR2ACEHRH2
SCHEMBL2814433 0.90 PROKR1 (0.39) PROKR1KLK5CNR2ACEHRH2
SCHEMBL2814434 0.90 PROKR1 (0.39) PROKR1KLK5CNR2ACEHRH2
SCHEMBL2877866 0.88 PROKR1 (0.40) PROKR1CNR2PER2CRY1CRY2

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