SCHEMBL742306

CC(C)(C)N(C(=O)O)[C@@H](CC(=O)N1CCC[C@@H](c2nc3ccccc3n2CCN2C(=O)c3ccccc3C2=O)C1)Cc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	HRH1	P35367	9/20	0.41

▸	KCNH2	Q12809	8/20	0.41

▸	CYP2D6	P10635	7/20	0.41

▸	CHRM1	P11229	3/20	0.39

▸	PROKR1	Q8TCW9	3/20	0.38

▸	USP2	O75604	1/20	0.37

▸	POLB	P06746	1/20	0.37

▸	MAPK1	P28482	1/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.36

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
SCHEMBL742090	0.87	HRH1 (0.42)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL741317	0.87	HRH1 (0.45)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL742278	0.85	HRH1 (0.43)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL763299	0.83	HRH1 (0.40)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL738741	0.81	KCNH2 (0.39)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL742065	0.81	HRH1 (0.39)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL740611	0.81	KCNH2 (0.38)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL742192	0.81	HRH1 (0.40)	HRH1KCNH2CYP2D6CHRM1
SCHEMBL739588	0.79	HRH1 (0.43)	HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL740359	0.79	ADORA2A (0.40)	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