SCHEMBL4051655

CC(C)(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)C1(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PYGL	P06737	8/20	0.40

▸	CYP51A1	Q16850	5/20	0.40

▸	PYGM	P11217	1/20	0.40

▸	CYP3A4	P08684	4/20	0.37

▸	UGCG	Q16739	4/20	0.37

▸	SMYD3	Q9H7B4	2/20	0.37

▸	METAP2	P50579	1/20	0.36

▸	PLD2	O14939	1/20	0.35

▸	PLD1	Q13393	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.

Compound	similarity	top predicted	shared targets
SCHEMBL4048476	0.83	PYGL (0.41)	PYGLCYP51A1PYGMSMYD3
SCHEMBL4052843	0.82	PYGL (0.41)	PYGLCYP51A1PYGMSMYD3
SCHEMBL19856873	0.81	PYGL (0.38)	PYGLCYP51A1CYP3A4UGCGSMYD3
SCHEMBL19856874	0.81	PYGL (0.38)	PYGLCYP51A1CYP3A4UGCGSMYD3
SCHEMBL4059685	0.79	MCHR1 (0.39)	PYGLCYP51A1PYGMSMYD3METAP2
SCHEMBL4056416	0.77	SMYD3 (0.39)	PYGLCYP51A1PYGMSMYD3PLD1
SCHEMBL4049959	0.77	SMYD3 (0.41)	PYGLCYP51A1PYGMSMYD3
SCHEMBL1550636	0.76	ALOX15 (0.48)	PYGLCYP51A1PYGMSMYD3
SCHEMBL1550160	0.76	FLT3 (0.45)	PYGLCYP51A1PYGMSMYD3PLD2
SCHEMBL4057362	0.75	PYGL (0.39)	PYGLCYP51A1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2009111680-A1	TRPV4 ANTAGONISTS	SMITHLINE BEECHAM CORPORATION (US)	2009-09-11	—	—	WO	disclosed