SCHEMBL8544993

SCHEMBL8544993

CC(=O)ON(CCOc1ccc2c(c1)CCN(CCCc1ccc(F)cc1)C2=O)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.47
ITGA2B P08514 12/20 0.47
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
AOC3 Q16853 4/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 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
SCHEMBL8547342 0.94 ITGB3 (0.51) ITGB3ITGA2BS1PR1S1PR3AOC3
SCHEMBL8548505 0.89 ITGB3 (0.49) ITGB3ITGA2BS1PR1S1PR3AOC3
SCHEMBL8547934 0.84 ITGB3 (0.49) ITGB3ITGA2BAOC3
SCHEMBL8542223 0.84 ITGB3 (0.54) ITGB3ITGA2BS1PR1S1PR3AOC3
SCHEMBL8547138 0.82 ITGB3 (0.51) ITGB3ITGA2BS1PR1S1PR3AOC3
SCHEMBL8548449 0.81 ITGB3 (0.53) ITGB3ITGA2BS1PR1S1PR3AOC3
SCHEMBL8545644 0.81 ITGB3 (0.51) ITGB3ITGA2BS1PR1S1PR3AOC3
SCHEMBL8542189 0.78 ITGB3 (0.46) ITGB3ITGA2BAOC3DRD2DRD4
SCHEMBL8545572 0.77 ITGB3 (0.51) ITGB3ITGA2BAOC3
SCHEMBL8545868 0.77 ITGB3 (0.51) ITGB3ITGA2BAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526402-B1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed