SCHEMBL877178

COc1ccc(N2CCN(C(N)=O)[C@@H](Cc3ccccc3)C2)cc1OC(CF)CF.COc1ccc(N2CCN(C(N)=O)[C@@H](Cc3ccccc3)C2)cc1OC1CC1.COc1ccc(N2CCN(C(N)=O)[C@@H](Cc3ccccc3)C2)cc1OC1CCC1.COc1ccc(N2CCN(C(N)=O)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1.NC(=O)N1CCN(c2ccc(OC(F)F)c(OC3CCC3)c2)C[C@@H]1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	PDE4B	Q07343	14/20	0.42

▸	PDE4A	P27815	9/20	0.42

▸	PDE4C	Q08493	5/20	0.42

▸	PDE4D	Q08499	5/20	0.42

▸	NR1H2	P55055	2/20	0.38

▸	NR1H3	Q13133	2/20	0.38

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
SCHEMBL877179	1.00	PDE4B (0.42)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL876647	0.90	NR1H2 (0.44)	NR1H2NR1H3
SCHEMBL683096	0.90	NR1H2 (0.44)	NR1H2NR1H3
SCHEMBL683394	0.90	PDE4B (0.48)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL877117	0.90	PDE4B (0.48)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL2140386	0.88	PDE4B (0.48)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL2141419	0.88	PDE4B (0.50)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL682651	0.88	PDE4B (0.50)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL682038	0.88	PDE4B (0.48)	PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL682652	0.87	NR1H2 (0.47)	PDE4BPDE4ANR1H2NR1H3

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