SCHEMBL9012333

CC(=O)OCc1ccccc1C(=O)N=C(NC(=O)c1ccccc1COC(C)=O)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	6/20	0.41

▸	CMA1	P23946	3/20	0.37

▸	ACE	P12821	2/20	0.36

▸	TMPRSS11D	O60235	3/20	0.35

▸	F10	P00742	1/20	0.35

▸	PLG	P00747	1/20	0.35

▸	OPRM1	P35372	1/20	0.35

▸	OPRD1	P41143	1/20	0.35

▸	TACR1	P25103	2/20	0.35

▸	PRSS1	P07477	3/20	0.34

▸	PRSS2	P07478	3/20	0.34

▸	PRSS3	P35030	3/20	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
SCHEMBL9012328	1.00	F2 (0.41)	F2CMA1ACETMPRSS11DF10
SCHEMBL9012345	0.91	F2 (0.44)	F2CMA1TMPRSS11DF10PLG
SCHEMBL9012353	0.85	F2 (0.42)	F2CMA1ACETMPRSS11DTACR1
SCHEMBL9012113	0.85	F2 (0.46)	F2CMA1ACETMPRSS11D
SCHEMBL9012129	0.85	F2 (0.46)	F2CMA1ACETMPRSS11D
SCHEMBL9012003	0.83	F2 (0.50)	F2CMA1ACETMPRSS11DF10
SCHEMBL9011998	0.83	F2 (0.50)	F2CMA1ACETMPRSS11DF10
SCHEMBL9012549	0.81	F2 (0.46)	F2CMA1TMPRSS11DPRSS1PRSS2
SCHEMBL9012557	0.81	F2 (0.46)	F2CMA1TMPRSS11DPRSS1PRSS2
SCHEMBL8818014	0.81	F2 (0.41)	F2CMA1ACEPRSS1

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