SCHEMBL742706

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-n4c(=O)[nH]c5cccc(C)c54)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	9/20	0.37

▸	HRH1	P35367	8/20	0.37

▸	CYP2D6	P10635	6/20	0.37

▸	CHRM1	P11229	3/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.34

▸	MAPT	P10636	5/20	0.33

▸	TP53	P04637	2/20	0.33

▸	CYP3A4	P08684	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
SCHEMBL739844	0.92	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1SMN1; SMN2
SCHEMBL740396	0.92	KCNH2 (0.38)	KCNH2HRH1CYP2D6CHRM1SMN1; SMN2
SCHEMBL742171	0.91	KCNH2 (0.37)	KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL762794	0.89	KCNH2 (0.38)	KCNH2HRH1CYP2D6CHRM1SMN1; SMN2
SCHEMBL739780	0.88	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1SMN1; SMN2
SCHEMBL739781	0.88	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1SMN1; SMN2
SCHEMBL740407	0.88	HRH1 (0.40)	KCNH2HRH1CYP2D6CHRM1SMN1; SMN2
SCHEMBL741787	0.88	HRH1 (0.40)	KCNH2HRH1CYP2D6CHRM1SMN1; SMN2
SCHEMBL740853	0.88	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1SMN1; SMN2
SCHEMBL741234	0.87	HRH1 (0.39)	KCNH2HRH1CYP2D6CHRM1MAPT

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