SCHEMBL7634069

CC(C(=O)OC(C)(C)C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)OC4CCN(C)CC4)cc3)C(=O)O2)CC1.CN1CCC(OC(=O)NC(=N)c2ccc(N3CC(COS(C)(=O)=O)OC3=O)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	5/20	0.38

▸	ITGA2B	P08514	5/20	0.38

▸	PRSS1	P07477	4/20	0.33

▸	PRSS2	P07478	4/20	0.33

▸	PRSS3	P35030	4/20	0.33

▸	SIGMAR1	Q99720	8/20	0.33

▸	F10	P00742	1/20	0.32

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
SCHEMBL7642370	0.94	ITGB3 (0.41)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7642364	0.92	ITGB3 (0.39)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7638267	0.92	ITGB3 (0.44)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7631939	0.91	ITGB3 (0.44)	ITGB3ITGA2BSIGMAR1
SCHEMBL7639358	0.90	ITGB3 (0.37)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7641756	0.88	ITGB3 (0.40)	ITGB3ITGA2BSIGMAR1
SCHEMBL7639820	0.87	ITGB3 (0.42)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639008	0.87	ITGB3 (0.39)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7640388	0.86	GRM2 (0.40)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7638226	0.86	ITGB3 (0.53)	ITGB3ITGA2BPRSS1PRSS2PRSS3

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-6455529-B1	OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS	MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE)	2002-09-24	—	—	US	disclosed