SCHEMBL7633200

CCOC(=O)CC(C(=O)O)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1.CCOC(=O)CC(C(=O)O)N1CCN(CC2CN(c3ccc(C4=NOC(c5ccccc5)N4)cc3)C(=O)O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	12/20	0.43

▸	ITGA2B	P08514	12/20	0.43

▸	PRSS1	P07477	9/20	0.36

▸	PRSS2	P07478	9/20	0.36

▸	PRSS3	P35030	9/20	0.36

▸	F10	P00742	10/20	0.35

▸	SIGMAR1	Q99720	3/20	0.34

▸	F2	P00734	2/20	0.31

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
SCHEMBL7671038	0.92	ITGB3 (0.41)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7317424	0.91	ITGB3 (0.45)	ITGB3ITGA2BSIGMAR1
SCHEMBL7308602	0.89	ITGB3 (0.52)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7304501	0.88	ITGB3 (0.45)	ITGB3ITGA2BSIGMAR1
SCHEMBL7633348	0.87	ITGB3 (0.41)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7318763	0.86	ITGB3 (0.43)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7636198	0.86	ITGB3 (0.45)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7306506	0.85	ITGB3 (0.52)	ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7314935	0.83	ITGB3 (0.42)	ITGB3ITGA2BSIGMAR1
SCHEMBL8858197	0.82	ITGB3 (0.41)	ITGB3ITGA2BSIGMAR1

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