SCHEMBL877090

COc1ccc(N2CCN(C(=O)Cc3cn[nH]c3)C(Cc3ccccc3)C2)cc1OC1CCC1.COc1ccc(N2CCN(C(=O)Cc3cnc(C)o3)C(Cc3ccccc3)C2)cc1OC1CCC1.COc1ccc(N2CCN(C(=O)Cc3nc(C(C)C)n[nH]3)C(Cc3ccccc3)C2)cc1OC1CCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ROCK2	O75116	1/20	0.34

▸	PDE4B	Q07343	3/20	0.32

▸	PDE4A	P27815	4/20	0.30

▸	PDE4C	Q08493	1/20	0.30

▸	PDE4D	Q08499	1/20	0.30

▸	NR1H2	P55055	2/20	0.30

▸	NR1H3	Q13133	2/20	0.30

▸	DRD3	P35462	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
SCHEMBL877089	1.00	ROCK2 (0.34)	ROCK2PDE4BPDE4APDE4CPDE4D
SCHEMBL2138138	0.88	PDE4B (0.39)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL882597	0.88	PDE4B (0.39)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL2142126	0.86	PDE4B (0.41)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL682631	0.86	PDE4B (0.41)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL877001	0.84	ROCK2 (0.46)	ROCK2PDE4BPDE4APDE4CPDE4D
SCHEMBL682783	0.84	ROCK2 (0.46)	ROCK2PDE4BPDE4APDE4CPDE4D
SCHEMBL876775	0.82	ROCK2 (0.46)	ROCK2PDE4BPDE4APDE4CPDE4D
SCHEMBL683060	0.82	ROCK2 (0.46)	ROCK2PDE4BPDE4APDE4CPDE4D
SCHEMBL682708	0.80	PDE4B (0.41)	ROCK2PDE4BPDE4APDE4CPDE4D

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-2643000-A2	THERAPEUTIC PIPERAZINES	Dart Neuroscience (Cayman) Ltd (KY)	2013-10-02	—	—	EP	claimed
WO-2012040258-A2	THERAPEUTIC PIPERAZINES	HELICON THERAPEUTICS, INC. (US)	2012-03-29	—	—	WO	claimed