SCHEMBL1020002

CC(C)(C)CNC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C)c3F)CC2)cc1.CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)cc3)CC2)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	DCUN1D1	Q96GG9	3/20	0.39

▸	UBE2M	P61081	1/20	0.38

▸	ACKR3	P25106	4/20	0.38

▸	EPHX2	P34913	8/20	0.37

▸	KDM4E	B2RXH2	2/20	0.37

▸	ALDH1A1	P00352	2/20	0.37

▸	RECQL	P46063	1/20	0.36

▸	L3MBTL1	Q9Y468	1/20	0.36

▸	MEN1	O00255	1/20	0.36

▸	KMT2A	Q03164	1/20	0.36

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
SCHEMBL1018193	0.95	DCUN1D1 (0.42)	DCUN1D1UBE2MACKR3EPHX2KDM4E
SCHEMBL1019572	0.92	L3MBTL1 (0.41)	ACKR3EPHX2KDM4EALDH1A1L3MBTL1
SCHEMBL3649970	0.89	L3MBTL1 (0.39)	ACKR3EPHX2KDM4EALDH1A1L3MBTL1
SCHEMBL1021713	0.82	EPHX2 (0.41)	DCUN1D1ACKR3EPHX2KDM4EALDH1A1
SCHEMBL13663361	0.81	NPC1 (0.41)	DCUN1D1UBE2MEPHX2KDM4EALDH1A1
SCHEMBL13663225	0.80	L3MBTL1 (0.40)	EPHX2KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL12954974	0.78	DRD2 (0.47)	DCUN1D1UBE2MACKR3KMT2A
Hydrochloric Acid SCHEMBL1074147	0.77	ACKR3 (0.46)	DCUN1D1UBE2MACKR3MEN1KMT2A
SCHEMBL1020375	0.77	L3MBTL1 (0.47)	ACKR3KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL12954826	0.76	ACKR3 (0.45)	DCUN1D1UBE2MACKR3ALDH1A1KMT2A

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
EP-2190827-B1	N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS	ORGANON NV (NL)	2011-01-12	—	—	EP	claimed