SCHEMBL7101396

SCHEMBL7101396

Cc1ccccc1NC(=O)Nc1ccc(CN2C(=O)N([C@@H](CC3CC3)C(=O)O)C(=O)C23CCCCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.43
ITGA4 P13612 20/20 0.43
ITGB7 P26010 2/20 0.41

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
SCHEMBL7106166 0.89 ITGB1 (0.45) ITGB1ITGA4
SCHEMBL7099758 0.84 ITGB1 (0.48) ITGB1ITGA4ITGB7
SCHEMBL1818220 0.84 ITGB1 (0.48) ITGB1ITGA4ITGB7
SCHEMBL1821054 0.83 ITGB1 (0.39) ITGB1ITGA4ITGB7
SCHEMBL7106236 0.83 ITGB1 (0.39) ITGB1ITGA4ITGB7
SCHEMBL1818339 0.83 ITGB1 (0.38) ITGB1ITGA4ITGB7
SCHEMBL1818342 0.81 L3MBTL1 (0.35) ITGB1ITGA4ITGB7
SCHEMBL7382602 0.81 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7100078 0.81 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL1821102 0.81 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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