SCHEMBL27809082

SCHEMBL27809082

COc1ccc(CCc2ccc(N3CCN(C(C)=O)CC3)cn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 18/20 0.74
GFER P55789 1/20 0.49
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 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
SCHEMBL2068345 0.87 AOC3 (0.72) AOC3
SCHEMBL28790871 0.87 AOC3 (0.72) AOC3
SCHEMBL1433124 0.87 AOC3 (0.72) AOC3
SCHEMBL16815677 0.87 AOC3 (0.72) AOC3GFER
SCHEMBL1433159 0.87 AOC3 (0.72) AOC3
SCHEMBL27809014 0.87 AOC3 (0.67) AOC3
SCHEMBL1432750 0.86 AOC3 (0.74) AOC3GFER
SCHEMBL1432951 0.86 AOC3 (0.71) AOC3
SCHEMBL27809050 0.86 AOC3 (0.71) AOC3
SCHEMBL1432625 0.86 AOC3 (0.74) AOC3

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
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 CN disclosed
CN-102046601-A Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2011-05-04 CN disclosed