SCHEMBL740396

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-n4c(=O)[nH]c5cc(C)c(C)cc54)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	8/20	0.38

▸	HRH1	P35367	8/20	0.38

▸	CYP2D6	P10635	7/20	0.38

▸	CHRM1	P11229	3/20	0.35

▸	CYP3A4	P08684	2/20	0.34

▸	MAPT	P10636	5/20	0.34

▸	TP53	P04637	2/20	0.34

▸	PROKR1	Q8TCW9	1/20	0.33

▸	POLB	P06746	1/20	0.33

▸	CYP1A2	P05177	1/20	0.33

▸	CYP2C9	P11712	1/20	0.33

▸	CYP2C19	P33261	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

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
SCHEMBL742171	0.94	KCNH2 (0.37)	KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL741787	0.92	HRH1 (0.40)	KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL740407	0.92	HRH1 (0.40)	KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL742706	0.92	KCNH2 (0.37)	KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL739844	0.91	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL741234	0.89	HRH1 (0.39)	KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL762963	0.89	KCNH2 (0.39)	KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL740853	0.89	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL741951	0.88	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL741952	0.88	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1CYP3A4

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