SCHEMBL8549552

SCHEMBL8549552

C=C(C)COc1ccc2c(c1)CCN(CCCc1ccccc1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.54
ITGB3 P05106 12/20 0.49
ITGA2B P08514 12/20 0.49
GRM5 P41594 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL8545172 0.92 AOC3 (0.54) AOC3ITGB3ITGA2BGRM5
SCHEMBL8550212 0.85 DRD3 (0.55) GRM5
SCHEMBL8549557 0.84 GRM5 (0.49) AOC3ITGB3ITGA2BGRM5MAOA
SCHEMBL8548927 0.83 ITGB3 (0.53) AOC3ITGB3ITGA2BGRM5MAOA
SCHEMBL8543792 0.82 AOC3 (0.47) AOC3ITGB3ITGA2BGRM5MAOA
SCHEMBL8547139 0.82 MAOA (0.53) AOC3ITGB3ITGA2BGRM5MAOA
SCHEMBL8549697 0.80 MAOA (0.48) AOC3ITGB3ITGA2BGRM5MAOA
SCHEMBL8548454 0.79 GRM5 (0.55) AOC3ITGB3ITGA2BGRM5
SCHEMBL8543655 0.79 ITGB3 (0.54) AOC3ITGB3ITGA2BMAOAMAOB
SCHEMBL8543334 0.79 ITGB3 (0.48) AOC3ITGB3ITGA2BGRM5MAOA

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