SCHEMBL8927495

CC(=O)O[C@H]1CCCN(C(=N)N)C1.CCC(C)[C@@H](C(=O)OC)N(C)C(=O)[C@H](CC(N)=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	20/20	0.49

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
SCHEMBL8720144	0.87	F2 (0.54)	F2
SCHEMBL8717151	0.86	F2 (0.50)	F2
Acetic Acid SCHEMBL8947880	0.85	F2 (0.66)	F2
Acetic Acid SCHEMBL8947862	0.85	F2 (0.66)	F2
Acetic Acid SCHEMBL8717154	0.84	F2 (0.51)	F2
SCHEMBL8719725	0.83	F2 (0.54)	F2
SCHEMBL8393284	0.81	F2 (0.52)	F2
SCHEMBL8720012	0.81	F2 (0.49)	F2
SCHEMBL8721703	0.80	F2 (0.51)	F2
SCHEMBL8717116	0.80	F2 (0.53)	F2

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
US-5677448-A	CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS	HOFFMANN-LA ROCHE INC. (US)	1997-10-14	—	—	US	disclosed