Sugi Predict

Sugi Predict / Compounds / SCHEMBL4056168

SCHEMBL4056168

SCHEMBL4056168

CN(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PYGL P06737 9/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ CYP51A1 Q16850 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ BCAT1 P54687 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ STAT6 P42226 1/20 0.35

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
SCHEMBL4049330 0.94 PYGL (0.38) ALDH1A1PYGLDRD2CYP51A1STAT6
SCHEMBL4055536 0.92 DRD2 (0.35) ALDH1A1PYGLDRD2CYP51A1STAT6
SCHEMBL4053170 0.92 RAB9A (0.45) ALDH1A1PYGLDRD2CYP51A1STAT6
SCHEMBL4057673 0.87 PYGL (0.39) PYGLDRD2CYP51A1BCAT1STAT6
SCHEMBL4051134 0.86 DRD2 (0.38) PYGLDRD2CYP51A1STAT6
SCHEMBL7993594 0.84 PYGL (0.40) PYGLDRD2CYP51A1BCAT1
SCHEMBL4347129 0.83 PYGL (0.39) ALDH1A1PYGLDRD2CYP51A1HTT
SCHEMBL4059459 0.83 PYGL (0.38) PYGLDRD2CYP51A1BCAT1STAT6
SCHEMBL4057362 0.83 PYGL (0.39) PYGLDRD2CYP51A1BCAT1
SCHEMBL19856896 0.83 PYGL (0.43) ALDH1A1PYGLDRD2CYP51A1STAT6

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
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 — — WO claimed
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 — — WO disclosed