SCHEMBL1679321

SCHEMBL1679321

CCC(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.65
HTT P42858 1/20 0.53
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
PTGS2 P35354 1/20 0.51

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
SCHEMBL6181035 0.88 F10 (0.60) F10RAB9A
SCHEMBL6453826 0.86 F10 (0.64) F10PTGS2
SCHEMBL1677899 0.85 F10 (0.60) F10POLBPTGS2
SCHEMBL1380646 0.85 F10 (0.62) F10PTGS2
SCHEMBL6182831 0.84 F10 (0.59) F10PTGS2
SCHEMBL1380603 0.84 F10 (0.59) F10PTGS2
SCHEMBL1381539 0.84 F10 (0.59) F10PTGS2
SCHEMBL118847 0.83 F10 (0.60) F10PTGS2
SCHEMBL118728 0.83 F10 (0.58) F10PTGS2
SCHEMBL28407706 0.82 F10 (0.59) F10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4668614-B2 2011-04-13 JP claimed
JP-2006500369-A 2006-01-05 JP claimed
EP-1558247-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2005-08-03 EP claimed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 WO claimed
EP-1562939-A1 CARBOXAMIDES MERCK PATENT GmbH (DE) 2005-08-17 EP disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed