SCHEMBL8820439

CC(C)C(=O)OCC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)COC(=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 5)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.41

▸	CMA1	P23946	14/20	0.40

▸	PRSS1	P07477	1/20	0.39

▸	ACE	P12821	1/20	0.37

▸	TMPRSS11D	O60235	1/20	0.36

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
SCHEMBL8818023	0.94	F2 (0.41)	F2CMA1PRSS1ACE
SCHEMBL8818014	0.94	F2 (0.41)	F2CMA1PRSS1ACE
SCHEMBL8820590	0.87	F2 (0.44)	F2CMA1PRSS1ACETMPRSS11D
SCHEMBL9012551	0.85	F2 (0.45)	F2CMA1PRSS1ACE
SCHEMBL9012544	0.85	F2 (0.45)	F2CMA1PRSS1ACE
SCHEMBL9012540	0.85	F2 (0.43)	F2CMA1PRSS1ACE
SCHEMBL9012550	0.85	F2 (0.43)	F2CMA1PRSS1ACE
SCHEMBL8820660	0.85	F2 (0.43)	F2CMA1PRSS1ACETMPRSS11D
SCHEMBL9012046	0.83	F2 (0.41)	F2CMA1PRSS1ACETMPRSS11D
SCHEMBL9012053	0.83	F2 (0.41)	F2CMA1PRSS1ACETMPRSS11D

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
WO-1997033576-A1	CARBAMYL GUANIDINE AND AMIDINE PRODRUGS	BRISTOL-MYERS SQUIBB COMPANY (US)	1997-09-18	—	—	WO	claimed