SCHEMBL7999919

CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc(C(=O)O)c1.Cc1nc(-c2ccc(CN3CCN(C(=O)c4cccc(-c5ccccc5S(=O)(=O)NC(C)(C)C)c4)CC3=O)cc2)no1

nearest known ligand 0.39

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CYP46A1	Q9Y6A2	1/20	0.39

▸	STAT3	P40763	1/20	0.37

▸	RHOA	P61586	1/20	0.37

▸	AGTR1	P30556	2/20	0.37

▸	AGTR2	P50052	2/20	0.37

▸	MGLL	Q99685	2/20	0.37

▸	MAPT	P10636	1/20	0.36

▸	HRH3	Q9Y5N1	1/20	0.36

▸	LMNA	P02545	3/20	0.35

▸	TP53	P04637	1/20	0.35

▸	NR1H4	Q96RI1	1/20	0.35

▸	S1PR1	P21453	2/20	0.35

▸	S1PR3	Q99500	1/20	0.35

▸	S1PR4	O95977	1/20	0.34

▸	S1PR5	Q9H228	1/20	0.34

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
SCHEMBL7996365	0.82	PLA2G2A (0.39)	MAPTHRH3LMNAS1PR1S1PR3
SCHEMBL7999734	0.81	F10 (0.39)	CYP46A1HRH3
SCHEMBL7999939	0.79	MGLL (0.52)	CYP46A1MGLLHRH3S1PR1S1PR3
SCHEMBL7999739	0.77	NPC1 (0.47)	CYP46A1STAT3MGLLHRH3LMNA
SCHEMBL7999871	0.75	MGLL (0.48)	CYP46A1MGLLMAPTHRH3LMNA
SCHEMBL7996082	0.75	GPR119 (0.42)	CYP46A1AGTR1AGTR2HRH3LMNA
SCHEMBL8003104	0.73	MGLL (0.46)	CYP46A1MGLLMAPTHRH3LMNA
SCHEMBL7997634	0.72	NPC1 (0.45)	CYP46A1RHOAMGLLHRH3LMNA
SCHEMBL7996195	0.72	NPC1 (0.42)	CYP46A1MGLLMAPTHRH3LMNA
SCHEMBL7997639	0.69	L3MBTL1 (0.45)	MAPTLMNATP53S1PR1S1PR4

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-2000008005-A2	PIPERAZINONE DERIVATIVES	MERCK PATENT GMBH (DE)	2000-02-17	—	—	WO	disclosed