SCHEMBL7996360

CC(C)(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N1C[C@H]2N(C(=O)CNS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC21C

nearest known ligand 0.36

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	SMYD3	Q9H7B4	1/20	0.36

▸	CYP51A1	Q16850	3/20	0.35

▸	MCHR1	Q99705	1/20	0.35

▸	PYGL	P06737	3/20	0.35

▸	PYGM	P11217	2/20	0.35

▸	LGALS8	O00214	1/20	0.34

▸	LGALS3	P17931	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.32

▸	DRD2	P14416	1/20	0.32

▸	DRD3	P35462	1/20	0.32

▸	CRHR1	P34998	1/20	0.32

▸	MEN1	O00255	1/20	0.32

▸	KMT2A	Q03164	1/20	0.32

▸	MLLT1	Q03111	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.

Compound	similarity	top predicted	shared targets
SCHEMBL8006223	0.93	PYGL (0.39)	SMYD3CYP51A1PYGLPYGMLGALS8
SCHEMBL7995568	0.92	DRD2 (0.34)	CYP51A1MCHR1PYGLPYGMALDH1A1
SCHEMBL4056416	0.86	SMYD3 (0.39)	SMYD3CYP51A1MCHR1PYGLPYGM
SCHEMBL7997127	0.85	STAT6 (0.36)	SMYD3CYP51A1PYGLPYGMLGALS8
SCHEMBL8004923	0.84	PYGL (0.37)	SMYD3CYP51A1PYGLDRD2DRD3
SCHEMBL8004714	0.84	ALOX15 (0.40)	SMYD3CYP51A1PYGLPYGMLGALS8
SCHEMBL8010908	0.82	PYGL (0.39)	SMYD3CYP51A1PYGLPYGMMEN1
SCHEMBL8005360	0.81	STAT6 (0.39)	MCHR1
SCHEMBL7996364	0.81	ALB (0.36)	CYP51A1
SCHEMBL8010550	0.81	MCL1 (0.38)	ALDH1A1

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