SCHEMBL13258347

COc1ccc2c(c1)C=C(c1c(C(=O)N3CC[C@](C)(O)C[C@@H]3C)cnn1C(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21

nearest known ligand 0.47

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	7/20	0.47

▸	NR1I2	O75469	8/20	0.40

▸	CYP3A4	P08684	3/20	0.39

▸	SCN5A	Q14524	2/20	0.39

▸	SCN9A	Q15858	5/20	0.37

▸	CYP2C9	P11712	1/20	0.36

▸	CYP2C19	P33261	1/20	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
SCHEMBL13258348	0.94	KCNH2 (0.49)	KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL862998	0.89	KCNH2 (0.53)	KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL13258593	0.89	KCNH2 (0.53)	KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL862670	0.88	KCNH2 (0.52)	KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL863058	0.87	KCNH2 (0.51)	KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL862891	0.87	KCNH2 (0.51)	KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL841218	0.87	KCNH2 (0.51)	KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL862767	0.86	NR1I2 (0.51)	KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL13257874	0.86	KCNH2 (0.48)	KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL13257873	0.86	KCNH2 (0.48)	KCNH2NR1I2CYP3A4SCN5ASCN9A

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
WO-2010093359-A1	COMPOUNDS FOR THE TREATMENT OF HEPATITIS C	BRISTOL-MYERS SQUIBB COMPANY (US)	2010-08-19	—	—	WO	disclosed
WO-2009029384-A2	COMPOUNDS FOR THE TREATMENT OF HEPATITIS C	BRISTOL-MYERS SQUIBB COMPANY (US)	2009-03-05	—	—	WO	disclosed