SCHEMBL19488656

CC(=O)NC(C(=O)N1CCC[C@H]1c1nc2ccc(-c3cnc(-c4cccc(NC(=O)[C@@H]5CCCN5C(=O)[C@H](NC(C)=O)c5ccccc5)c4)o3)cc2[nH]1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	1/20	0.44

▸	HCRTR1	O43613	5/20	0.43

▸	HCRTR2	O43614	5/20	0.43

▸	CYP3A4	P08684	5/20	0.42

▸	CYP2C9	P11712	5/20	0.42

▸	CYP2C19	P33261	5/20	0.42

▸	CYP2D6	P10635	2/20	0.42

▸	CYP1A2	P05177	2/20	0.42

▸	PRCP	P42785	4/20	0.41

▸	MAPT	P10636	2/20	0.39

▸	POLB	P06746	1/20	0.39

▸	LMNA	P02545	1/20	0.38

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
SCHEMBL12374127	1.00	KCNH2 (0.44)	KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL2281891	0.95	KCNH2 (0.44)	KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL10202423	0.95	HCRTR1 (0.43)	KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL15896296	0.94	KCNH2 (0.49)	KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL12406104	0.94	KCNH2 (0.49)	KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL13258522	0.92	KCNH2 (0.43)	KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL12374119	0.91	HCRTR1 (0.45)	KCNH2HCRTR1HCRTR2PRCPMAPT
SCHEMBL12374125	0.89	HCRTR1 (0.43)	KCNH2HCRTR1HCRTR2PRCPMAPT
SCHEMBL2284214	0.89	KCNH2 (0.49)	KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL12404478	0.89	KCNH2 (0.54)	KCNH2HCRTR1HCRTR2CYP3A4CYP2C9

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-2601188-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2017-10-18	—	—	EP	disclosed