SCHEMBL12432205

SCHEMBL12432205

CCCC(CC(=O)OC)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cc(Nc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 20/20 0.56
CTSG P08311 1/20 0.47
HTR1D P28221 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL2357166 0.95 CMA1 (0.55) CMA1CTSGHTR1DOPRK1
SCHEMBL2311731 0.93 CMA1 (0.64) CMA1CTSGHTR1DOPRK1
SCHEMBL12432201 0.88 CMA1 (0.56) CMA1CTSGHTR1DOPRK1
SCHEMBL2363702 0.85 CMA1 (0.54) CMA1CTSGHTR1DOPRK1
SCHEMBL2364125 0.85 CMA1 (0.63) CMA1CTSGHTR1DOPRK1
SCHEMBL2312365 0.85 CMA1 (0.63) CMA1CTSGHTR1DOPRK1
SCHEMBL2357589 0.83 CMA1 (0.62) CMA1CTSG
SCHEMBL2315118 0.83 CMA1 (0.62) CMA1CTSG
SCHEMBL2312062 0.83 CMA1 (0.59) CMA1CTSGHTR1DOPRK1
SCHEMBL2311677 0.83 CMA1 (0.59) CMA1CTSGHTR1DOPRK1

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
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed