SCHEMBL14679205

[2H]C([2H])([2H])OC([2H])([2H])[C@@H](c1ccc(C)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C([2H])([2H])[2H])ccnc3C)CC2)C[C@@H]1C

nearest known ligand 0.57

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	20/20	0.57

▸	CHRM2	P08172	14/20	0.57

▸	CHRM1	P11229	4/20	0.54

▸	CHRM3	P20309	2/20	0.54

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
SCHEMBL14679206	0.92	CCR5 (0.57)	CCR5CHRM2CHRM1CHRM3
SCHEMBL13334520	0.89	CCR5 (0.65)	CCR5CHRM2CHRM1CHRM3
SCHEMBL13334545	0.89	CCR5 (0.74)	CCR5CHRM2CHRM1CHRM3
SCHEMBL411291	0.85	CCR5 (0.69)	CCR5CHRM2CHRM1CHRM3
SCHEMBL12796162	0.84	CCR5 (0.69)	CCR5CHRM2CHRM1CHRM3
SCHEMBL13334657	0.83	CCR5 (0.70)	CCR5CHRM2CHRM1CHRM3
SCHEMBL13334539	0.83	CCR5 (0.76)	CCR5CHRM2CHRM1CHRM3
SCHEMBL13334457	0.82	CCR5 (0.65)	CCR5CHRM2CHRM1CHRM3
SCHEMBL13334581	0.81	CCR5 (0.73)	CCR5CHRM2CHRM1CHRM3
SCHEMBL12796167	0.81	CCR5 (0.83)	CCR5CHRM2CHRM1CHRM3

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
US-8367674-B2	Piperazine derivatives	CONCERT PHARMACEUTICALS, INC. (US)	2013-02-05	—	—	US	disclosed