SCHEMBL7369100

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C(Cc1cccc(COCc2ccccc2)c1)[C@H](O)c1nc(COCc2ccccc2)c[nH]1)[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	3/20	0.36

▸	PPARA	Q07869	2/20	0.36

▸	CTSS	P25774	3/20	0.34

▸	MAPT	P10636	2/20	0.34

▸	TDP1	Q9NUW8	2/20	0.34

▸	CTSB	P07858	2/20	0.34

▸	CTSK	P43235	2/20	0.34

▸	ACE	P12821	1/20	0.34

▸	POLB	P06746	1/20	0.34

▸	PTPN1	P18031	1/20	0.34

▸	PPARG	P37231	1/20	0.34

▸	RAB9A	P51151	1/20	0.34

▸	KDM4E	B2RXH2	1/20	0.34

▸	CTSL	P07711	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
SCHEMBL7319648	0.85	CCKAR (0.36)	RENPPARACTSSCTSBCTSK
SCHEMBL7324681	0.84	REN (0.41)	RENCTSSMAPTTDP1CTSB
SCHEMBL7313196	0.84	REN (0.41)	RENCTSSMAPTTDP1CTSB
SCHEMBL10785485	0.81	REN (0.42)	RENCTSSMAPTTDP1CTSB
SCHEMBL7317391	0.80	REN (0.44)	RENMAPTTDP1POLB
SCHEMBL7315462	0.80	REN (0.44)	RENMAPTTDP1POLB
SCHEMBL7316247	0.80	REN (0.44)	RENMAPTTDP1POLB
SCHEMBL7312788	0.79	REN (0.46)	RENMAPTTDP1ACEPOLB
SCHEMBL7309930	0.76	REN (0.46)	REN
SCHEMBL7314665	0.76	REN (0.46)	REN

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
EP-0231919-A2	N-Heterocyclic alcohol renin inhibitors	E.R. Squibb & Sons, Inc. (US)	1987-08-12	—	—	EP	disclosed