SCHEMBL3261759

SCHEMBL3261759

CCC[C@@H](CC(N)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc21

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 20/20 0.70
HTR1D P28221 1/20 0.50
OPRK1 P41145 1/20 0.50
CTSG P08311 1/20 0.48

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
SCHEMBL1294819 0.92 CMA1 (0.81) CMA1HTR1DOPRK1CTSG
SCHEMBL7948931 0.92 CMA1 (0.81) CMA1HTR1DOPRK1CTSG
SCHEMBL1295198 0.90 CMA1 (0.68) CMA1HTR1DOPRK1CTSG
SCHEMBL8101035 0.88 CMA1 (0.64) CMA1HTR1DOPRK1CTSG
SCHEMBL7948918 0.87 CMA1 (0.65) CMA1HTR1DOPRK1CTSG
SCHEMBL1294630 0.87 CMA1 (0.65) CMA1HTR1DOPRK1CTSG
SCHEMBL7940767 0.85 CMA1 (0.79) CMA1HTR1DOPRK1CTSG
SCHEMBL1294330 0.85 CMA1 (0.79) CMA1HTR1DOPRK1CTSG
SCHEMBL12102583 0.85 CMA1 (0.62) CMA1HTR1DOPRK1CTSG
SCHEMBL12102415 0.85 CMA1 (0.62) CMA1HTR1DOPRK1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062056-B2 Aza-benzimidazolone Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
EP-2364313-B1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-01-08 EP disclosed
EP-2364313-B1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-01-08 EP disclosed
WO-2010030500-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 WO disclosed