SCHEMBL21864801

SCHEMBL21864801

NC/C(=C\F)COc1ccc2cc(N3CCOCC3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 20/20 0.59

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
SCHEMBL28390714 0.90 AOC3 (0.65) AOC3
SCHEMBL21865003 0.87 AOC3 (0.58) AOC3
SCHEMBL21864999 0.84 AOC3 (0.63) AOC3
SCHEMBL21865246 0.84 AOC3 (0.64) AOC3
SCHEMBL21864799 0.83 AOC3 (0.56) AOC3
SCHEMBL21864800 0.83 AOC3 (0.47) AOC3
SCHEMBL21864987 0.81 AOC3 (0.61) AOC3
SCHEMBL28390669 0.79 AOC2 (0.60) AOC3
SCHEMBL24095107 0.78 AOC3 (0.56) AOC3
SCHEMBL21864988 0.78 AOC3 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020063854-A1 QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS 南京明德新药研发有限公司 2020-04-02 WO disclosed