SCHEMBL8060247

Cc1ccc(S(=O)(=O)N(C(=O)C2CN(C(=O)OCc3ccccc3)CCN2)[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)cc1.Cc1ccc(S(=O)(=O)N(C(=O)C2CNCCN2)[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	P2RX7	Q99572	15/20	0.39

▸	ITGB3	P05106	1/20	0.36

▸	ITGA2B	P08514	1/20	0.36

▸	GPR119	Q8TDV5	1/20	0.33

▸	MMP1	P03956	1/20	0.33

▸	MMP3	P08254	1/20	0.33

▸	MMP7	P09237	1/20	0.33

▸	MMP9	P14780	1/20	0.33

▸	MMP13	P45452	1/20	0.33

▸	BCL9	O00512	1/20	0.32

▸	CTNNB1	P35222	1/20	0.32

▸	CCR5	P51681	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
SCHEMBL3850286	0.94	P2RX7 (0.43)	P2RX7ITGB3ITGA2BGPR119MMP1
SCHEMBL4413833	0.91	P2RX7 (0.45)	P2RX7ITGB3ITGA2BMMP1MMP3
SCHEMBL3851267	0.87	P2RX7 (0.33)	P2RX7ITGB3ITGA2BMMP13
SCHEMBL5610180	0.84	P2RX7 (0.39)	P2RX7ITGB3ITGA2B
SCHEMBL3858269	0.83	PTGES (0.37)	P2RX7ITGB3ITGA2B
SCHEMBL6038413	0.77	P2RX7 (0.32)	P2RX7
SCHEMBL6633571	0.76	P2RX7 (0.38)	P2RX7GPR119MMP1MMP3MMP7
SCHEMBL3870071	0.76	P2RX7 (0.32)	P2RX7
SCHEMBL3850404	0.76	P2RX7 (0.32)	P2RX7
SCHEMBL3850821	0.75	P2RX7 (0.34)	P2RX7MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1000051-A1	CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4	Elan Pharmaceuticals, Inc. (US)	2000-05-17	—	—	EP	claimed
WO-1999006390-A1	CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4	ELAN PHARMACEUTICALS, INC. (US)	1999-02-11	—	—	WO	claimed