SCHEMBL742428

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccc(C(=O)NCCOC)cc4)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	HRH1	P35367	10/20	0.40

▸	KCNH2	Q12809	7/20	0.40

▸	CYP2D6	P10635	6/20	0.40

▸	CHRM1	P11229	3/20	0.38

▸	GCGR	P47871	1/20	0.36

▸	PIN1	Q13526	1/20	0.36

▸	HTR2B	P41595	1/20	0.36

▸	PROKR1	Q8TCW9	2/20	0.36

▸	PTGER4	P35408	1/20	0.35

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	0.93	HRH1 (0.37)	HRH1KCNH2CYP2D6CHRM1PIN1
SCHEMBL742693	0.91	HRH1 (0.41)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL739476	0.90	HRH1 (0.43)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL742769	0.90	HRH1 (0.36)	HRH1KCNH2CYP2D6CHRM1PIN1
SCHEMBL742872	0.89	HRH1 (0.41)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL742873	0.89	HRH1 (0.41)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL740410	0.89	HRH1 (0.40)	HRH1KCNH2CYP2D6CHRM1
SCHEMBL740411	0.89	HRH1 (0.40)	HRH1KCNH2CYP2D6CHRM1
SCHEMBL742749	0.89	HRH1 (0.43)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL741907	0.89	HRH1 (0.41)	HRH1KCNH2CYP2D6CHRM1

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