SCHEMBL9012238

CC(CC(C)(C)C(=O)N=C(N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1)OC(=O)OCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	7/20	0.41

▸	CMA1	P23946	7/20	0.40

▸	TMPRSS11D	O60235	4/20	0.39

▸	PRSS1	P07477	4/20	0.38

▸	XIAP	P98170	3/20	0.38

▸	F10	P00742	1/20	0.36

▸	PLG	P00747	1/20	0.36

▸	PRSS2	P07478	3/20	0.36

▸	PRSS3	P35030	3/20	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
SCHEMBL9012090	0.94	F2 (0.41)	F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012392	0.93	F2 (0.43)	F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012399	0.93	F2 (0.41)	F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012567	0.93	F2 (0.43)	F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012564	0.93	F2 (0.43)	F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012142	0.92	F2 (0.44)	F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012149	0.92	F2 (0.44)	F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012464	0.91	F2 (0.41)	F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012264	0.91	CMA1 (0.43)	F2CMA1TMPRSS11DPRSS1XIAP
SCHEMBL9012269	0.91	CMA1 (0.43)	F2CMA1TMPRSS11DPRSS1XIAP

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