SCHEMBL9012610

CCCCCC(=O)/N=C(\NC(=O)CCCOC(=O)CCCCC)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	5/20	0.42

▸	ACE2	Q9BYF1	5/20	0.42

▸	PRCP	P42785	1/20	0.40

▸	F2	P00734	6/20	0.40

▸	CMA1	P23946	2/20	0.36

▸	REN	P00797	1/20	0.35

▸	TMPRSS11D	O60235	3/20	0.34

▸	PRSS1	P07477	1/20	0.34

▸	F10	P00742	2/20	0.34

▸	PLG	P00747	1/20	0.34

▸	NMUR2	Q9GZQ4	2/20	0.34

▸	NMUR1	Q9HB89	2/20	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
SCHEMBL9012317	1.00	ACE (0.42)	ACEACE2PRCPF2CMA1
SCHEMBL9012616	1.00	ACE (0.42)	ACEACE2PRCPF2CMA1
SCHEMBL9012303	1.00	ACE (0.42)	ACEACE2PRCPF2CMA1
SCHEMBL9012200	0.95	ACE (0.42)	ACEACE2PRCPF2CMA1
SCHEMBL9012210	0.95	ACE (0.42)	ACEACE2PRCPF2CMA1
SCHEMBL9012364	0.94	ACE (0.46)	ACEACE2PRCPF2CMA1
SCHEMBL9012094	0.94	ACE (0.46)	ACEACE2PRCPF2CMA1
SCHEMBL9012299	0.93	ACE (0.42)	ACEACE2PRCPF2CMA1
SCHEMBL9012313	0.93	ACE (0.42)	ACEACE2PRCPF2CMA1
SCHEMBL9012233	0.92	F2 (0.40)	ACEACE2PRCPF2CMA1

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-0743320-A2	Acyl guanidine and amidine prodrugs	BRISTOL-MYERS SQUIBB COMPANY (US)	1996-11-20	—	—	EP	claimed