SCHEMBL762867

SCHEMBL762867

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccccc4)cc3)NC(=O)OC(C)(C)C)C2)nc2c(Cl)cccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
KLK5 Q9Y337 1/20 0.37
ACE P12821 1/20 0.36
USP30 Q70CQ3 1/20 0.35
KMT2A Q03164 2/20 0.35
PADI4 Q9UM07 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
MAPK1 P28482 1/20 0.34
MMEL1 Q495T6 1/20 0.34
SCN9A Q15858 1/20 0.34
PRCP P42785 1/20 0.34

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
SCHEMBL763266 0.93 KLK5 (0.35) HRH2HRH1KLK5ACEKMT2A
SCHEMBL741369 0.92 MMEL1 (0.38) HRH1KMT2AITGB3ITGA2BMMEL1
SCHEMBL763858 0.90 KCNH2 (0.42) HRH2HRH1KLK5ACE
SCHEMBL762504 0.90 HRH1 (0.37) HRH2HRH1KLK5ACEUSP30
SCHEMBL763793 0.88 HRH1 (0.40) HRH1
SCHEMBL740291 0.87 DPP4 (0.37) HRH2HRH1KMT2A
SCHEMBL740290 0.87 DPP4 (0.37) HRH2HRH1KMT2A
SCHEMBL739547 0.86 HRH1 (0.41) HRH2HRH1KLK5PADI4
SCHEMBL739548 0.86 HRH1 (0.41) HRH2HRH1KLK5PADI4
SCHEMBL762673 0.86 HRH1 (0.41) HRH2HRH1KLK5ACEUSP30

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed