SCHEMBL278448

CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCOCC2)c1C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)CC(C)C)cc3n2C1

nearest known ligand 0.49

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	7/20	0.49

▸	CYP3A4	P08684	3/20	0.42

▸	SCN5A	Q14524	2/20	0.42

▸	NR1I2	O75469	8/20	0.40

▸	CYP2C9	P11712	1/20	0.38

▸	CYP2C19	P33261	1/20	0.38

▸	SCN9A	Q15858	4/20	0.36

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
SCHEMBL277721	1.00	KCNH2 (0.49)	KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL278079	0.96	KCNH2 (0.50)	KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL16474065	0.96	KCNH2 (0.50)	KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL277709	0.95	KCNH2 (0.47)	KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL863109	0.92	KCNH2 (0.51)	KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL863051	0.92	KCNH2 (0.51)	KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL13531127	0.92	KCNH2 (0.51)	KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL16299743	0.92	KCNH2 (0.50)	KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862972	0.92	KCNH2 (0.50)	KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL863018	0.92	KCNH2 (0.50)	KCNH2CYP3A4SCN5ANR1I2CYP2C9

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
US-8133884-B2	Compounds for the treatment of hepatitis C	BRISTOL-MYERS SQUIBB COMPANY (US)	2012-03-13	—	—	US	disclosed
US-8133884-B2	Compounds for the treatment of hepatitis C	BRISTOL-MYERS SQUIBB COMPANY (US)	2012-03-13	—	—	US	disclosed