SCHEMBL4787626

CC(C)NC(=O)C(C(C(=O)N(C)C)N1CCN(CCCCCOc2ccc3c(-c4ccc(Cl)cc4)cn(C)c3c2)CC1)N1CCN(CCCCCOc2ccc3c(-c4ccc(C#N)cc4)coc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	HRH3	Q9Y5N1	7/20	0.40

▸	BCHE	P06276	2/20	0.37

▸	ACHE	P22303	2/20	0.37

▸	HTR1A	P08908	2/20	0.36

▸	DRD2	P14416	2/20	0.36

▸	HTR7	P34969	2/20	0.36

▸	HTR6	P50406	2/20	0.36

▸	PDK1	Q15118	1/20	0.34

▸	PDK2	Q15119	1/20	0.34

▸	HRH2	P25021	2/20	0.34

▸	HRH1	P35367	2/20	0.34

▸	SIGMAR1	Q99720	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
SCHEMBL4745752	0.85	HRH3 (0.52)	HRH3BCHEACHEPDK1PDK2
SCHEMBL4787631	0.82	HRH3 (0.40)	HRH3BCHEACHE
SCHEMBL4744061	0.78	SIGMAR1 (0.40)	HRH3SIGMAR1
SCHEMBL4744042	0.76	HRH3 (0.45)	HRH3BCHEACHEHTR1ADRD2
SCHEMBL4745561	0.76	HRH3 (0.53)	HRH3BCHEACHEPDK1PDK2
SCHEMBL4742617	0.76	HRH3 (0.53)	HRH3BCHEACHEPDK1PDK2
SCHEMBL4744978	0.75	HRH3 (0.54)	HRH3BCHEACHEPDK1PDK2
SCHEMBL4787617	0.74	HRH3 (0.44)	HRH3BCHEACHEPDK1PDK2
SCHEMBL4745128	0.73	HRH3 (0.54)	HRH3BCHEACHEPDK1PDK2
SCHEMBL4744107	0.73	HRH3 (0.51)	HRH3BCHEACHEPDK1PDK2

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-2008107321-A1	HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS	CEREP (FR)	2008-09-12	—	—	WO	disclosed