SCHEMBL5709332

COc1ccc(C2(CCCN(C)[C@@H](C)C(=O)O)CCc3cc(Cl)ccc32)cc1.COc1ccc2c(c1)CCC2(CCN(C)CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	UTS2R	Q9UKP6	1/20	0.39

▸	SLC6A9	P48067	7/20	0.37

▸	BCHE	P06276	3/20	0.37

▸	AR	P10275	2/20	0.35

▸	KCNA5	P22460	1/20	0.35

▸	SLC6A2	P23975	2/20	0.34

▸	SLC6A4	P31645	2/20	0.34

▸	SLC6A3	Q01959	2/20	0.34

▸	EP300	Q09472	1/20	0.33

▸	CREBBP	Q92793	1/20	0.33

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
SCHEMBL5709486	0.92	BCHE (0.41)	UTS2RSLC6A9BCHEARKCNA5
SCHEMBL5709440	0.92	BCHE (0.41)	UTS2RSLC6A9BCHEARKCNA5
SCHEMBL5709489	0.92	BCHE (0.41)	UTS2RSLC6A9BCHEARKCNA5
SCHEMBL5709434	0.92	BCHE (0.41)	UTS2RSLC6A9BCHEARKCNA5
SCHEMBL5709480	0.88	UTS2R (0.45)	UTS2RSLC6A9ARKCNA5SLC6A2
SCHEMBL468349	0.87	BCHE (0.44)	UTS2RSLC6A9BCHE
SCHEMBL468350	0.87	BCHE (0.44)	UTS2RSLC6A9BCHE
Hydrochloric Acid SCHEMBL6167370	0.86	BCHE (0.44)	UTS2RSLC6A9BCHE
Hydrochloric Acid SCHEMBL6167375	0.86	BCHE (0.44)	UTS2RSLC6A9BCHE
SCHEMBL5709336	0.85	UTS2R (0.43)	UTS2RSLC6A9BCHEARKCNA5

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1727785-A1	PHENYL INDAN DERIVATIVES	H.Lundbeck A/S (DK)	2006-12-06	—	—	EP	disclosed
WO-2005087708-A1	PHENYL INDAN DERIVATIVES	H. LUNDBECK A/S (DK)	2005-09-22	—	—	WO	disclosed