SCHEMBL9012053

CC(C)C(=O)OCCCC(=O)N=C(NC(=O)CCCOC(=O)C(C)C)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	5/20	0.41

▸	ACE	P12821	5/20	0.38

▸	ACE2	Q9BYF1	5/20	0.38

▸	CMA1	P23946	4/20	0.38

▸	TMPRSS11D	O60235	3/20	0.36

▸	PRCP	P42785	1/20	0.36

▸	PRSS1	P07477	2/20	0.35

▸	F10	P00742	1/20	0.35

▸	PLG	P00747	1/20	0.35

▸	REN	P00797	1/20	0.35

▸	PRSS2	P07478	1/20	0.35

▸	PRSS3	P35030	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
SCHEMBL9012046	1.00	F2 (0.41)	F2ACEACE2CMA1TMPRSS11D
SCHEMBL9012358	0.93	F2 (0.41)	F2ACEACE2CMA1TMPRSS11D
SCHEMBL9012352	0.93	F2 (0.41)	F2ACEACE2CMA1TMPRSS11D
SCHEMBL9012366	0.93	F2 (0.40)	F2ACEACE2CMA1PRCP
SCHEMBL9012354	0.93	F2 (0.40)	F2ACEACE2CMA1PRCP
SCHEMBL9012303	0.91	ACE (0.42)	F2ACEACE2CMA1TMPRSS11D
SCHEMBL9012616	0.91	ACE (0.42)	F2ACEACE2CMA1TMPRSS11D
SCHEMBL9012200	0.91	ACE (0.42)	F2ACEACE2CMA1TMPRSS11D
SCHEMBL9012233	0.91	F2 (0.40)	F2ACEACE2CMA1TMPRSS11D
SCHEMBL9012210	0.91	ACE (0.42)	F2ACEACE2CMA1TMPRSS11D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0743320-A2	Acyl guanidine and amidine prodrugs	BRISTOL-MYERS SQUIBB COMPANY (US)	1996-11-20	—	—	EP	claimed
EP-0743320-A2	Acyl guanidine and amidine prodrugs	BRISTOL-MYERS SQUIBB COMPANY (US)	1996-11-20	—	—	EP	disclosed