SCHEMBL742769

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccc(C(=O)NCCO)cc4Cl)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	HRH1	P35367	8/20	0.36

▸	CYP2D6	P10635	6/20	0.36

▸	KCNH2	Q12809	6/20	0.36

▸	AGTR2	P50052	4/20	0.36

▸	AGTR1	P30556	3/20	0.36

▸	CHRM1	P11229	2/20	0.34

▸	PIN1	Q13526	1/20	0.34

▸	PTGER4	P35408	1/20	0.34

▸	PROKR1	Q8TCW9	2/20	0.34

▸	PPARG	P37231	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
SCHEMBL743204	0.97	HRH1 (0.37)	HRH1CYP2D6KCNH2AGTR2AGTR1
SCHEMBL742428	0.90	HRH1 (0.40)	HRH1CYP2D6KCNH2CHRM1PIN1
SCHEMBL763247	0.89	KCNH2 (0.39)	HRH1CYP2D6KCNH2AGTR2AGTR1
SCHEMBL741536	0.89	HRH1 (0.38)	HRH1CYP2D6KCNH2AGTR2AGTR1
SCHEMBL741535	0.89	HRH1 (0.38)	HRH1CYP2D6KCNH2AGTR2AGTR1
SCHEMBL763882	0.87	AGTR2 (0.37)	HRH1CYP2D6KCNH2AGTR2AGTR1
SCHEMBL763250	0.86	KCNH2 (0.39)	HRH1CYP2D6KCNH2AGTR2AGTR1
SCHEMBL739313	0.86	HRH1 (0.44)	HRH1CYP2D6KCNH2CHRM1
SCHEMBL741332	0.86	HRH1 (0.39)	HRH1CYP2D6KCNH2AGTR2AGTR1
SCHEMBL741331	0.86	HRH1 (0.39)	HRH1CYP2D6KCNH2AGTR2AGTR1

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