SCHEMBL7989864

SCHEMBL7989864

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@H]2N(C(=O)C3CN(S(=O)(=O)c4ccc(Cl)cc4Cl)C3)CC21C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.37
CYP51A1 Q16850 4/20 0.35
BCAT1 P54687 2/20 0.34
GHSR Q92847 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 2/20 0.34
ALOX15 P16050 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
PYGM P11217 3/20 0.33
LGALS8 O00214 1/20 0.32
LGALS1 P09382 1/20 0.32
LGALS3 P17931 1/20 0.32

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
SCHEMBL8002404 0.95 PYGL (0.37) PYGLCYP51A1BCAT1GHSRDRD2
SCHEMBL7996254 0.88 STAT6 (0.37) PYGLCYP51A1GHSRDRD3ALOX15
SCHEMBL7998247 0.86 STAT6 (0.33) PYGLCYP51A1DRD2DRD3SMYD3
SCHEMBL4341339 0.86 PYGL (0.39) PYGLCYP51A1BCAT1GHSRDRD2
SCHEMBL7999763 0.84 CYP51A1 (0.35) PYGLCYP51A1BCAT1DRD2ALOX15
SCHEMBL8002402 0.82 STAT6 (0.37) PYGLCYP51A1BCAT1GHSRALOX15
SCHEMBL8004923 0.81 PYGL (0.37) PYGLCYP51A1BCAT1DRD2DRD3
SCHEMBL8002978 0.81 TDP1 (0.35) PYGLCYP51A1BCAT1DRD2DRD3
SCHEMBL4341295 0.81 POLB (0.41) PYGLCYP51A1GHSRDRD3ALOX15
SCHEMBL4336622 0.81 POLB (0.41) PYGLCYP51A1GHSRDRD3ALOX15

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-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed