SCHEMBL1820303

SCHEMBL1820303

Cc1ccccc1NC(=O)Nc1ccc(CN2C(=O)N([C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c3ccccc3)C(=O)C23CCCCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.44
ITGA4 P13612 20/20 0.44

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7100811 1.00 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7107727 0.99 ITGB1 (0.44) ITGB1ITGA4
Tromethamine SCHEMBL1820256 0.95 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL7107550 0.94 LMNA (0.37) ITGB1ITGA4
SCHEMBL1820746 0.94 LMNA (0.37) ITGB1ITGA4
SCHEMBL7101545 0.94 ITGB1 (0.48) ITGB1ITGA4
SCHEMBL7416547 0.94 ITGB1 (0.48) ITGB1ITGA4
SCHEMBL7103777 0.94 LMNA (0.37) ITGB1ITGA4
SCHEMBL7106468 0.93 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL7382602 0.92 ITGB1 (0.43) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4686029-B2 2011-05-18 JP claimed
EP-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP claimed
JP-2002544261-A 2002-12-24 JP claimed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US claimed
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP claimed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 WO claimed
EP-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US disclosed
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 WO disclosed