SCHEMBL7640309

CC(C(=O)OCc1ccccc1)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccc5ccccc5c4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3ccc4ccccc4c3)cc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	3/20	0.38

▸	ITGA2B	P08514	3/20	0.38

▸	SIGMAR1	Q99720	13/20	0.36

▸	GRM2	Q14416	4/20	0.35

▸	PRSS1	P07477	2/20	0.32

▸	PRSS2	P07478	2/20	0.32

▸	PRSS3	P35030	2/20	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
SCHEMBL6604884	0.94	ITGB3 (0.42)	ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7633368	0.93	ITGB3 (0.43)	ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7639745	0.93	ITGB3 (0.41)	ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639286	0.92	ITGB3 (0.39)	ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7639748	0.91	ITGB3 (0.42)	ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7637785	0.91	ITGB3 (0.41)	ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7639408	0.91	ITGB3 (0.37)	ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7640448	0.91	ITGB3 (0.38)	ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639942	0.91	ITGB3 (0.45)	ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7639345	0.91	ITGB3 (0.40)	ITGB3ITGA2BSIGMAR1GRM2

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