SCHEMBL764339

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-n4ccc(=O)n(C)c4=O)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	9/20	0.38

▸	HRH1	P35367	7/20	0.37

▸	CYP2D6	P10635	5/20	0.37

▸	MAPT	P10636	7/20	0.36

▸	TP53	P04637	3/20	0.36

▸	CHRM1	P11229	3/20	0.36

▸	THRB	P10828	1/20	0.35

▸	PADI4	Q9UM07	1/20	0.34

▸	CYP3A4	P08684	1/20	0.34

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
SCHEMBL10292169	0.94	HRH1 (0.39)	KCNH2HRH1CYP2D6MAPTTP53
SCHEMBL763792	0.91	HRH1 (0.39)	KCNH2HRH1CYP2D6MAPTTP53
SCHEMBL763911	0.90	HRH1 (0.37)	KCNH2HRH1CYP2D6MAPTTP53
SCHEMBL765187	0.90	HRH1 (0.39)	KCNH2HRH1CYP2D6MAPTTP53
SCHEMBL764980	0.89	KCNH2 (0.39)	KCNH2HRH1CYP2D6MAPTTP53
SCHEMBL10292328	0.89	KCNH2 (0.41)	KCNH2HRH1CYP2D6MAPTTP53
SCHEMBL763178	0.88	HRH1 (0.43)	KCNH2HRH1CYP2D6MAPTTP53
SCHEMBL762674	0.88	HRH1 (0.41)	KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL762644	0.88	KCNH2 (0.43)	KCNH2HRH1CYP2D6MAPTTP53
SCHEMBL763880	0.88	HRH1 (0.43)	KCNH2HRH1CYP2D6MAPTTP53

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
US-8138168-B1	Renin inhibitors	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2012-03-20	—	—	US	disclosed