SCHEMBL11892895

SCHEMBL11892895

CCOC(=O)c1cncc(N2CCN(c3ncc(-c4cccc(CNC(=O)CNC(=O)OC(C)(C)C)c4)cn3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 13/20 0.42
▸ P2RY12 Q9H244 4/20 0.42
▸ ROCK2 O75116 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL11356048 0.88 AOC3 (0.53) AOC3
SCHEMBL10317631 0.80 AOC3 (0.61) AOC3
SCHEMBL16785103 0.79 AOC3 (0.46) AOC3ROCK2
SCHEMBL11416991 0.79 AOC3 (0.55) AOC3P2RY12
SCHEMBL11892879 0.78 AOC3 (0.51) AOC3ROCK2
SCHEMBL11356246 0.78 AOC3 (0.55) AOC3
SCHEMBL11362874 0.78 AOC3 (0.69) AOC3
SCHEMBL16784913 0.78 ROCK2 (0.45) AOC3P2RY12ROCK2
SCHEMBL16785105 0.77 AOC3 (0.57) AOC3ROCK2
SCHEMBL11892883 0.77 AOC3 (0.52) AOC3P2RY12

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
EP-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 — — EP disclosed
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