SCHEMBL83834

SCHEMBL83834

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.59
NR1H3 Q13133 4/20 0.59
RORC P51449 2/20 0.50
ABHD6 Q9BV23 1/20 0.46
ROCK2 O75116 1/20 0.45
SETD7 Q8WTS6 2/20 0.43
FPR2 P25090 4/20 0.43
USP30 Q70CQ3 2/20 0.42
FPR3 P25089 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL82171 1.00 NR1H2 (0.59) NR1H2NR1H3RORCABHD6ROCK2
SCHEMBL1673567 1.00 NR1H2 (0.59) NR1H2NR1H3RORCABHD6ROCK2
SCHEMBL82172 0.93 NR1H2 (0.57) NR1H2NR1H3RORCABHD6ROCK2
SCHEMBL12988184 0.93 NR1H2 (0.57) NR1H2NR1H3RORCABHD6ROCK2
SCHEMBL22772313 0.88 NR1H2 (0.47) NR1H2NR1H3RORCABHD6ROCK2
SCHEMBL521801 0.87 NR1H2 (0.49) NR1H2NR1H3RORCABHD6ROCK2
SCHEMBL83391 0.87 MEN1 (0.53) NR1H2NR1H3ABHD6ROCK2
SCHEMBL1673737 0.87 MEN1 (0.53) NR1H2NR1H3ABHD6ROCK2
SCHEMBL1673736 0.87 MEN1 (0.53) NR1H2NR1H3ABHD6ROCK2
SCHEMBL4712983 0.87 NR1H2 (0.58) NR1H2NR1H3RORCABHD6ROCK2

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
EP-1805164-B9 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-07 EP disclosed
EP-1805164-B1 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-02-23 EP disclosed