SCHEMBL8103715

SCHEMBL8103715

CCCC(CC(=O)O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2ccc(N)cc21

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 20/20 0.61
HTR1D P28221 1/20 0.58
OPRK1 P41145 1/20 0.58
CTSG P08311 2/20 0.43

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
SCHEMBL8101233 1.00 CMA1 (0.61) CMA1HTR1DOPRK1CTSG
SCHEMBL8101228 0.95 CMA1 (0.68) CMA1HTR1DOPRK1CTSG
SCHEMBL8110684 0.90 CMA1 (0.68) CMA1HTR1DOPRK1CTSG
SCHEMBL2309401 0.90 CMA1 (0.69) CMA1HTR1DOPRK1CTSG
SCHEMBL2311022 0.90 CMA1 (0.69) CMA1HTR1DOPRK1CTSG
SCHEMBL8118954 0.89 CMA1 (0.53) CMA1HTR1DOPRK1CTSG
SCHEMBL2314482 0.88 CMA1 (0.59) CMA1HTR1DOPRK1CTSG
SCHEMBL2308195 0.88 CMA1 (0.59) CMA1HTR1DOPRK1CTSG
SCHEMBL2313856 0.87 CMA1 (0.58) CMA1HTR1DOPRK1CTSG
SCHEMBL2311480 0.86 CMA1 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed