SCHEMBL20055417

COC(=O)N[C@H](C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C2(CC2)c2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2C9	P11712	4/20	0.45

▸	CYP3A4	P08684	4/20	0.45

▸	NR1I2	O75469	2/20	0.45

▸	KCNH2	Q12809	2/20	0.45

▸	ABCB11	O95342	1/20	0.45

▸	OPRK1	P41145	1/20	0.45

▸	CYP1A2	P05177	2/20	0.42

▸	CYP2D6	P10635	1/20	0.41

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
SCHEMBL17326988	1.00	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL2757285	1.00	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL19883307	1.00	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL14985708	1.00	CYP2C9 (0.45)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL21897710	0.96	CYP2C9 (0.41)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL19981367	0.95	CYP2C9 (0.44)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL15443804	0.95	CYP2C9 (0.44)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL18462701	0.95	CYP2C9 (0.44)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL19087952	0.95	CYP2C9 (0.44)	CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL18463016	0.95	CYP2C9 (0.44)	CYP2C9CYP3A4NR1I2KCNH2ABCB11

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
EP-3309157-A1	ANTIVIRAL COMPOUNDS	Gilead Pharmasset LLC (US)	2018-04-18	—	—	EP	disclosed