SCHEMBL15948174

Cc1ccc(-c2cnc(-c3ccc4[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)nc4c3)o2)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	2/20	0.38

▸	PRCP	P42785	4/20	0.37

▸	CYP3A4	P08684	3/20	0.35

▸	CYP2C9	P11712	3/20	0.35

▸	CYP2C19	P33261	3/20	0.35

▸	CYP2D6	P10635	2/20	0.35

▸	CYP1A2	P05177	1/20	0.35

▸	HCRTR1	O43613	3/20	0.35

▸	HCRTR2	O43614	3/20	0.35

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
SCHEMBL2279257	1.00	KCNH2 (0.38)	KCNH2PRCPCYP3A4CYP2C9CYP2C19
SCHEMBL12404476	0.96	KCNH2 (0.45)	KCNH2PRCPCYP3A4CYP2C9CYP2C19
SCHEMBL3047481	0.94	PRCP (0.37)	KCNH2PRCPHCRTR1HCRTR2
SCHEMBL3057210	0.94	PRCP (0.37)	KCNH2PRCPHCRTR1HCRTR2
SCHEMBL2278820	0.92	KCNH2 (0.48)	KCNH2PRCPCYP3A4CYP2C9CYP2C19
SCHEMBL2276767	0.92	KCNH2 (0.48)	KCNH2PRCPCYP3A4CYP2C9CYP2C19
SCHEMBL3054614	0.92	KCNH2 (0.45)	KCNH2PRCPCYP3A4CYP2C9CYP2C19
SCHEMBL3055605	0.92	KCNH2 (0.45)	KCNH2PRCPCYP3A4CYP2C9CYP2C19
SCHEMBL2276860	0.91	HCRTR1 (0.39)	KCNH2PRCPHCRTR1HCRTR2
SCHEMBL2276865	0.91	HCRTR1 (0.39)	KCNH2PRCPHCRTR1HCRTR2

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-8809548-B2	Hepatitis C virus inhibitors	BRISTOL-MYERS SQUIBB COMPANY (US)	2014-08-19	—	—	US	claimed
EP-2601188-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2017-10-18	—	—	EP	disclosed