SCHEMBL16301241

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-n4c(=O)[nH]c5c(C)cccc54)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	SMN1; SMN2	Q16637	1/20	0.36

▸	HRH1	P35367	4/20	0.36

▸	CYP2D6	P10635	2/20	0.36

▸	HTR6	P50406	1/20	0.35

▸	KCNH2	Q12809	5/20	0.35

▸	MAPT	P10636	7/20	0.35

▸	TP53	P04637	5/20	0.35

▸	CHRM1	P11229	1/20	0.34

▸	CYP3A4	P08684	1/20	0.34

▸	THRB	P10828	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
SCHEMBL16301192	0.94	HRH1 (0.38)	SMN1; SMN2HRH1CYP2D6HTR6KCNH2
SCHEMBL16301242	0.92	SMN1; SMN2 (0.36)	SMN1; SMN2HRH1CYP2D6KCNH2MAPT
SCHEMBL765396	0.92	HRH1 (0.37)	HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301165	0.91	HRH1 (0.35)	SMN1; SMN2HRH1CYP2D6KCNH2MAPT
SCHEMBL16301231	0.90	HRH1 (0.35)	HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301230	0.90	HRH1 (0.35)	HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL763347	0.89	KCNH2 (0.39)	SMN1; SMN2HRH1CYP2D6KCNH2MAPT
SCHEMBL16301246	0.88	HRH1 (0.36)	HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301191	0.88	HRH1 (0.37)	SMN1; SMN2HRH1CYP2D6KCNH2MAPT
SCHEMBL16301260	0.88	MAPT (0.39)	SMN1; SMN2HRH1CYP2D6KCNH2MAPT

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