SCHEMBL9012276

CC(C)C(=O)OC(C)(C)CCC(=O)/N=C/C1CC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CCN1N

nearest known ligand 0.39

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	6/20	0.39

▸	PRSS1	P07477	4/20	0.39

▸	CMA1	P23946	11/20	0.36

▸	PRSS2	P07478	3/20	0.36

▸	PRSS3	P35030	3/20	0.36

▸	XIAP	P98170	3/20	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
SCHEMBL9012287	1.00	F2 (0.39)	F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9011989	0.86	F2 (0.39)	F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9011972	0.86	F2 (0.39)	F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9012282	0.85	F2 (0.43)	F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9012283	0.83	F2 (0.48)	F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9012270	0.83	F2 (0.48)	F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9012131	0.83	F2 (0.39)	F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9012117	0.83	F2 (0.39)	F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9012387	0.82	F2 (0.39)	F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9012394	0.82	F2 (0.39)	F2PRSS1CMA1PRSS2PRSS3

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