SCHEMBL12812671

SCHEMBL12812671

COc1cccc(CNC(=O)c2ccc(-c3cccc(CN(C)C(=O)CN)c3)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 15/20 0.71
▸ ROCK2 O75116 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ PRKACA P17612 1/20 0.61
▸ GSK3A P49840 1/20 0.61
▸ GSK3B P49841 1/20 0.61
▸ PRKX P51817 1/20 0.61
▸ PRKCQ Q04759 1/20 0.61
▸ ROCK1 Q13464 1/20 0.61
▸ CLK4 Q9HAZ1 1/20 0.61
▸ HSD17B2 P37059 2/20 0.61
▸ AURKA O14965 1/20 0.57
▸ MMP13 P45452 1/20 0.56

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
SCHEMBL11420492 0.92 AOC3 (0.71) AOC3HSD17B2
SCHEMBL11422442 0.90 AOC3 (0.68) AOC3HSD17B2
SCHEMBL11426776 0.88 AOC3 (0.80) AOC3
SCHEMBL11419447 0.86 AOC3 (0.74) AOC3
SCHEMBL11419343 0.86 AOC3 (0.74) AOC3
SCHEMBL11426786 0.85 AOC3 (0.68) AOC3HSD17B2
SCHEMBL11421913 0.85 AOC3 (0.68) AOC3
SCHEMBL11426964 0.84 AOC3 (0.74) AOC3
SCHEMBL11419381 0.84 AOC3 (0.77) AOC3
SCHEMBL10317644 0.83 AOC3 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 — — EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 — — US disclosed
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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