SCHEMBL12814383

SCHEMBL12814383

C=C(CN)N(C)Cc1cccc(-c2ccc(CN3CCN(C)CC3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 19/20 0.48
▸ PAICS P22234 1/20 0.42

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
SCHEMBL11365063 0.88 AOC3 (0.64) AOC3
SCHEMBL11364936 0.80 AOC3 (0.70) AOC3
SCHEMBL11365076 0.79 AOC3 (0.73) AOC3
SCHEMBL11361689 0.79 AOC3 (0.67) AOC3
SCHEMBL12812550 0.78 AOC3 (0.76) AOC3
SCHEMBL12814079 0.77 CYP2D6 (0.53) AOC3
SCHEMBL11362540 0.77 AOC3 (0.59) AOC3
SCHEMBL12812220 0.76 AOC3 (0.77) AOC3
SCHEMBL12814199 0.75 AOC3 (0.51) AOC3
Cadaverine Tartrate SCHEMBL10318331 0.74 AOC3 (0.68) 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-2011034078-A1 GLYCINE COMPOUND アステラス製薬株式会社 (JP) 2011-03-24 — — WO disclosed
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