SCHEMBL9224835

C[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ABCB1	P08183	1/20	0.42

▸	MMP1	P03956	2/20	0.40

▸	REN	P00797	2/20	0.39

▸	PRSS1	P07477	9/20	0.38

▸	TMPRSS15	P98073	9/20	0.38

▸	ITGB3	P05106	1/20	0.38

▸	ITGA2B	P08514	1/20	0.38

▸	TDP1	Q9NUW8	1/20	0.38

▸	F2	P00734	1/20	0.37

▸	KLKB1	P03952	1/20	0.37

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
SCHEMBL9215140	0.91	REN (0.47)	MMP1RENPRSS1TDP1F2
SCHEMBL7304175	0.87	ITGB3 (0.43)	ABCB1MMP1PRSS1TMPRSS15ITGB3
SCHEMBL9217556	0.85	REN (0.49)	REN
SCHEMBL9224224	0.83	ITGB3 (0.39)	RENITGB3ITGA2BF2
SCHEMBL9223970	0.79	CTSK (0.56)	ABCB1RENITGB3ITGA2B
SCHEMBL9223574	0.78	CTSG (0.50)	RENPRSS1TDP1
SCHEMBL30065465	0.77	ABCB1 (0.50)	ABCB1MMP1RENITGB3ITGA2B
SCHEMBL7296817	0.77	MAPT (0.44)	MMP1RENPRSS1ITGB3ITGA2B
Iodide SCHEMBL9221941	0.77	CCKBR (0.43)	MMP1RENPRSS1ITGB3ITGA2B
SCHEMBL9223666	0.76	REN (0.49)	RENTDP1

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
US-5430024-A	Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation	HOFFMANN-LA ROCHE INC. (US)	1995-07-04	—	—	US	disclosed
US-5273982-A	An amidinoaryleneamidoalkylpiperazinyleneacetic acid	HOFFMANN-LA ROCHE INC. (US)	1993-12-28	—	—	US	disclosed