SCHEMBL7899697

SCHEMBL7899697

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.39
KLK5 Q9Y337 1/20 0.37
CNR2 P34972 2/20 0.36
CACNA1B Q00975 1/20 0.36
ACE P12821 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
PADI4 Q9UM07 1/20 0.34
SCN9A Q15858 1/20 0.34
ATM Q13315 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
FPR2 P25090 1/20 0.33
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
SCHEMBL7891211 0.93 PROKR1 (0.42) PROKR1KLK5CNR2ACEHRH2
SCHEMBL7902566 0.92 PROKR1 (0.38) PROKR1KLK5CNR2ACEHRH2
SCHEMBL2789222 0.92 PROKR1 (0.41) PROKR1CNR2PER2CRY1CRY2
SCHEMBL2788383 0.91 KLK5 (0.36) KLK5CNR2CACNA1BACEHRH2
SCHEMBL2814433 0.91 PROKR1 (0.39) PROKR1KLK5CNR2ACEHRH2
SCHEMBL7901932 0.91 PTGS2 (0.34) KLK5CNR2CACNA1BHRH2HRH1
SCHEMBL2814434 0.91 PROKR1 (0.39) PROKR1KLK5CNR2ACEHRH2
SCHEMBL7897770 0.90 PROKR1 (0.37) PROKR1KLK5CNR2ACEHRH2
SCHEMBL2788344 0.90 PROKR1 (0.38) PROKR1KLK5CNR2ACEHRH2
SCHEMBL7905913 0.90 CACNA1B (0.35) KLK5CACNA1BACEHRH2HRH1

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