SCHEMBL7640448

CC(C(=O)OC(C)(C)C)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	1/20	0.38

▸	ITGA2B	P08514	1/20	0.38

▸	SIGMAR1	Q99720	12/20	0.35

▸	GRM2	Q14416	4/20	0.34

▸	KDM4E	B2RXH2	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	NPSR1	Q6W5P4	1/20	0.33

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
SCHEMBL7639745	0.94	ITGB3 (0.41)	ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6602882	0.94	ITGB3 (0.42)	ITGB3ITGA2BSIGMAR1
SCHEMBL7633368	0.92	ITGB3 (0.43)	ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639286	0.92	ITGB3 (0.39)	ITGB3ITGA2BSIGMAR1GRM2KDM4E
SCHEMBL7640309	0.91	ITGB3 (0.38)	ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7632248	0.91	ITGB3 (0.38)	ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7641756	0.90	ITGB3 (0.40)	ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7631939	0.90	ITGB3 (0.44)	ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7633585	0.89	ITGB3 (0.38)	ITGB3ITGA2BSIGMAR1ALDH1A1
SCHEMBL7636700	0.87	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