SCHEMBL27809014

SCHEMBL27809014

COc1cccc(CCc2ccc(N3CCN(C(C)=O)CC3)cn2)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.67
L3MBTL1 Q9Y468 1/20 0.49
RORC P51449 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL1433536 0.91 AOC3 (0.66) AOC3RORC
SCHEMBL27809082 0.87 AOC3 (0.74) AOC3
SCHEMBL1432837 0.86 AOC3 (0.72) AOC3RORC
SCHEMBL1433339 0.85 AOC3 (0.74) AOC3RORC
SCHEMBL1432355 0.85 AOC3 (0.71) AOC3RORC
SCHEMBL27829440 0.85 AOC3 (0.68) AOC3RORC
SCHEMBL2069326 0.84 AOC3 (0.69) AOC3RORC
SCHEMBL27809000 0.82 AOC3 (0.82) AOC3RORC
SCHEMBL27981774 0.82 AOC3 (0.67) AOC3RORC
SCHEMBL1432342 0.81 AOC3 (0.81) 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