SCHEMBL7031696

COC(=O)CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Cl)cc1.COC(=O)CC1CN(CCC=C2c3cc(C(C)(C)O)ccc3OCc3ncccc32)CCN1c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CCR1	P32246	2/20	0.54

▸	CHRM2	P08172	1/20	0.45

▸	CCR5	P51681	1/20	0.45

▸	FNTA	P49354	11/20	0.35

▸	FNTB	P49356	11/20	0.35

▸	UTS2R	Q9UKP6	3/20	0.34

▸	CNR1	P21554	2/20	0.34

▸	CYP3A4	P08684	1/20	0.31

▸	ALOX5AP	P20292	1/20	0.30

▸	FEN1	P39748	1/20	0.30

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
SCHEMBL654879	0.94	CCR1 (0.60)	CCR1CHRM2CCR5
SCHEMBL654878	0.94	CCR1 (0.60)	CCR1CHRM2CCR5
SCHEMBL15478318	0.94	CCR1 (0.60)	CCR1CHRM2CCR5
SCHEMBL16312661	0.85	CCR1 (0.64)	CCR1CHRM2CCR5CYP3A4
SCHEMBL652794	0.85	CCR1 (0.60)	CCR1CHRM2CCR5
SCHEMBL652793	0.85	CCR1 (0.60)	CCR1CHRM2CCR5
SCHEMBL13824504	0.84	CCR1 (0.64)	CCR1CHRM2CCR5FNTAFNTB
SCHEMBL15478383	0.83	CCR1 (0.62)	CCR1CHRM2CCR5
SCHEMBL653859	0.83	CCR1 (0.66)	CCR1CHRM2CCR5CYP3A4
SCHEMBL654944	0.83	CCR1 (0.66)	CCR1CHRM2CCR5CYP3A4

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-1448566-A2	CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF	MILLENNIUM PHARMACEUTICALS, INC. (US)	2004-08-25	—	—	EP	disclosed
WO-2003045942-A2	CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF	MILLENNIUM PHARMACEUTICALS, INC. (US)	2003-06-05	—	—	WO	disclosed