SCHEMBL16223451

O=C(O)N[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@H](NC(=O)O)c6ccccc6)n5)cc4)cc3)cc2)c[nH]1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	3/20	0.45

▸	CYP3A4	P08684	3/20	0.42

▸	PRCP	P42785	6/20	0.42

▸	CYP2C9	P11712	2/20	0.40

▸	PREP	P48147	1/20	0.40

▸	FAP	Q12884	1/20	0.40

▸	PPIB	P23284	1/20	0.39

▸	PPIA	P62937	1/20	0.39

▸	NR1I2	O75469	1/20	0.39

▸	ABCB11	O95342	1/20	0.39

▸	OPRK1	P41145	1/20	0.39

▸	ADAM17	P78536	2/20	0.38

▸	AADAT	Q8N5Z0	1/20	0.37

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
SCHEMBL1478629	1.00	KCNH2 (0.45)	KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1478082	0.94	KCNH2 (0.42)	KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1477978	0.94	KCNH2 (0.41)	KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1477983	0.94	KCNH2 (0.41)	KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1478074	0.94	KCNH2 (0.42)	KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1479453	0.94	PRCP (0.43)	KCNH2PRCPPPIBPPIAADAM17
SCHEMBL1479444	0.94	PRCP (0.43)	KCNH2PRCPPPIBPPIAADAM17
SCHEMBL1478695	0.92	KCNH2 (0.42)	KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL1478981	0.91	KCNH2 (0.42)	KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL883039	0.91	KCNH2 (0.58)	KCNH2CYP3A4PRCPCYP2C9NR1I2

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-2414350-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2014-11-12	—	—	EP	claimed