SCHEMBL16301231

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

nearest known ligand 0.35

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	HRH1	P35367	3/20	0.35

▸	CYP2D6	P10635	2/20	0.35

▸	KCNH2	Q12809	5/20	0.35

▸	POLB	P06746	1/20	0.34

▸	TP53	P04637	7/20	0.34

▸	MAPT	P10636	6/20	0.34

▸	CHRM1	P11229	1/20	0.34

▸	PADI4	Q9UM07	1/20	0.34

▸	CYP3A4	P08684	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	THRB	P10828	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
SCHEMBL16301230	0.95	HRH1 (0.35)	HRH1CYP2D6KCNH2POLBTP53
SCHEMBL765396	0.94	HRH1 (0.37)	HRH1CYP2D6KCNH2TP53MAPT
SCHEMBL16301261	0.94	MAPT (0.39)	HRH1CYP2D6KCNH2POLBTP53
SCHEMBL16301167	0.94	HRH1 (0.40)	HRH1CYP2D6KCNH2POLBTP53
SCHEMBL16301165	0.94	HRH1 (0.35)	HRH1CYP2D6KCNH2POLBTP53
SCHEMBL16301242	0.91	SMN1; SMN2 (0.36)	HRH1CYP2D6KCNH2TP53MAPT
SCHEMBL16301260	0.91	MAPT (0.39)	HRH1CYP2D6KCNH2POLBTP53
SCHEMBL16301166	0.91	HRH1 (0.40)	HRH1CYP2D6KCNH2POLBTP53
SCHEMBL16301241	0.90	SMN1; SMN2 (0.36)	HRH1CYP2D6KCNH2TP53MAPT
SCHEMBL762784	0.89	KCNH2 (0.38)	HRH1CYP2D6KCNH2POLBTP53

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