SCHEMBL6166830

COc1cc(CN2C(=O)N([C@@H](CC3CC3)C(=O)N[C@@H](CC(=O)O)c3ccccc3)C(=O)C2(C(F)(F)F)C(F)(F)F)ccc1NC(=O)Nc1ccccc1C.[Na]

nearest known ligand 0.43

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	ITGA4	P13612	18/20	0.43

▸	ITGB1	P05556	17/20	0.43

▸	ITGB7	P26010	1/20	0.35

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
SCHEMBL5195038	0.99	ITGA4 (0.43)	ITGA4ITGB1ITGB7
SCHEMBL5195026	0.99	ITGA4 (0.43)	ITGA4ITGB1ITGB7
SCHEMBL6166829	0.99	ITGA4 (0.43)	ITGA4ITGB1ITGB7
SCHEMBL6166820	0.99	ITGA4 (0.43)	ITGA4ITGB1ITGB7
SCHEMBL6166824	0.94	ITGA4 (0.39)	ITGA4ITGB1
SCHEMBL6166470	0.92	ITGA4 (0.44)	ITGA4ITGB1
SCHEMBL6166460	0.92	ITGA4 (0.44)	ITGA4ITGB1
SCHEMBL6167769	0.91	ITGB1 (0.45)	ITGA4ITGB1ITGB7
SCHEMBL6164563	0.90	ITGB1 (0.46)	ITGA4ITGB1ITGB7
SCHEMBL6164569	0.90	ITGB1 (0.46)	ITGA4ITGB1ITGB7

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1373249-B1	IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT	AVENTIS PHARMA GMBH (DE)	2005-04-20	—	—	EP	disclosed
EP-1373249-A1	IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT	Aventis Pharma Deutschland GmbH (DE)	2004-01-02	—	—	EP	disclosed
WO-2002072573-A1	IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT.	AVENTIS PHARMA DEUTSCHLAND GMBH (DE)	2002-09-19	—	—	WO	disclosed