SCHEMBL4048476

SCHEMBL4048476

CC(C)(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNCc1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGL P06737 11/20 0.41
CYP51A1 Q16850 7/20 0.41
PYGM P11217 1/20 0.41
SMYD3 Q9H7B4 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4052843 0.87 PYGL (0.41) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL8010908 0.86 PYGL (0.39) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL4059685 0.84 MCHR1 (0.39) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL4051655 0.83 PYGL (0.40) PYGLCYP51A1PYGMSMYD3
SCHEMBL4049959 0.81 SMYD3 (0.41) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL4056416 0.81 SMYD3 (0.39) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL1550160 0.79 FLT3 (0.45) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL1550636 0.79 ALOX15 (0.48) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL4057673 0.77 PYGL (0.39) PYGLCYP51A1
SCHEMBL4051117 0.77 ALOX15 (0.42) PYGLCYP51A1PYGMSMYD3

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