SCHEMBL8543792

SCHEMBL8543792

CC(COc1ccc2c(c1)CCN(CCCc1ccccc1)C2=O)NO

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.47
GRM5 P41594 2/20 0.46
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 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
SCHEMBL8542121 0.85 ITGB3 (0.47) AOC3GRM5ITGB3ITGA2B
SCHEMBL8548927 0.83 ITGB3 (0.53) AOC3GRM5ITGB3ITGA2BMAOA
SCHEMBL8545172 0.82 AOC3 (0.54) AOC3GRM5ITGB3ITGA2B
SCHEMBL8549552 0.82 AOC3 (0.54) AOC3GRM5ITGB3ITGA2BMAOA
SCHEMBL8550212 0.82 DRD3 (0.55) GRM5
SCHEMBL8547139 0.81 MAOA (0.53) AOC3GRM5ITGB3ITGA2BMAOA
SCHEMBL8543334 0.79 ITGB3 (0.48) AOC3GRM5ITGB3ITGA2BMAOA
SCHEMBL8549697 0.79 MAOA (0.48) AOC3GRM5ITGB3ITGA2BMAOA
SCHEMBL8549557 0.79 GRM5 (0.49) AOC3GRM5ITGB3ITGA2BMAOA
SCHEMBL8545447 0.78 ITGB3 (0.47) AOC3GRM5ITGB3ITGA2BMAOA

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