SCHEMBL3898935

N=C(N)c1ccc(C(=O)N[C@H](COc2cccc(C(=N)N)c2)CC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	9/20	1.00

▸	PRSS1	P07477	8/20	0.48

▸	F2	P00734	2/20	0.48

▸	PLG	P00747	1/20	0.48

▸	PRSS2	P07478	1/20	0.48

▸	C1S	P09871	1/20	0.48

▸	PRSS3	P35030	1/20	0.48

▸	ITGB3	P05106	1/20	0.47

▸	ITGA2B	P08514	1/20	0.47

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
SCHEMBL3899344	1.00	F10 (1.00)	F10PRSS1F2PLGPRSS2
SCHEMBL14131786	0.96	F10 (0.92)	F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3897204	0.94	F10 (0.88)	F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3902118	0.94	F10 (0.88)	F10PRSS1F2PLGPRSS2
SCHEMBL14132008	0.94	F10 (0.88)	F10PRSS1F2PLGPRSS2
SCHEMBL14132186	0.92	F10 (0.84)	F10PRSS1ITGB3ITGA2B
SCHEMBL3900124	0.91	F10 (0.83)	F10PRSS1F2PLGPRSS2
SCHEMBL13901150	0.91	F10 (0.83)	F10PRSS1F2PLGPRSS2
SCHEMBL14131785	0.91	F10 (0.83)	F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3900545	0.90	F10 (0.81)	F10PRSS1F2PLGPRSS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0976722-B1	BENZAMIDINE DERIVATIVES	AJINOMOTO KK (JP)	2009-03-11	—	—	EP	disclosed
US-7396844-B1	Benzamidine derivatives	AJINOMOTO CO., INC. (JP)	2008-07-08	—	—	US	disclosed
US-7396844-B1	Benzamidine derivatives	AJINOMOTO CO., INC. (JP)	2008-07-08	—	—	US	disclosed