SCHEMBL742171

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-n4c(=O)[nH]c5ccc(C)cc54)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	8/20	0.37

▸	HRH1	P35367	8/20	0.37

▸	CYP2D6	P10635	6/20	0.37

▸	CHRM1	P11229	3/20	0.35

▸	TNKS	O95271	1/20	0.34

▸	PARP1	P09874	1/20	0.34

▸	PARP2	Q9UGN5	1/20	0.34

▸	MAPT	P10636	4/20	0.33

▸	TP53	P04637	3/20	0.33

▸	CYP3A4	P08684	1/20	0.33

▸	POLB	P06746	1/20	0.33

▸	PROKR1	Q8TCW9	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
SCHEMBL741787	0.94	HRH1 (0.40)	KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL740396	0.94	KCNH2 (0.38)	KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL742706	0.91	KCNH2 (0.37)	KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL740407	0.91	HRH1 (0.40)	KCNH2HRH1CYP2D6CHRM1TNKS
SCHEMBL739844	0.90	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL762784	0.89	KCNH2 (0.38)	KCNH2HRH1CYP2D6CHRM1TNKS
SCHEMBL743286	0.88	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1TNKS
SCHEMBL743285	0.88	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1TNKS
SCHEMBL740853	0.88	HRH1 (0.38)	KCNH2HRH1CYP2D6CHRM1TNKS
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