SCHEMBL8548425

SCHEMBL8548425

COc1cc(NC(=O)N(O)CCOc2ccc3c(c2)CCN(CCCc2ccccc2)C3=O)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.42
ITGA2B P08514 11/20 0.42
AOC3 Q16853 3/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRM5 P41594 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL9425641 0.91 GRM5 (0.43) ITGB3ITGA2BAOC3GRM5BCHE
SCHEMBL8543334 0.86 ITGB3 (0.48) ITGB3ITGA2BAOC3MAOAMAOB
SCHEMBL8543655 0.82 ITGB3 (0.54) ITGB3ITGA2BAOC3MAOAMAOB
SCHEMBL8545447 0.81 ITGB3 (0.47) ITGB3ITGA2BAOC3MAOAMAOB
SCHEMBL8550037 0.79 ITGB3 (0.53) ITGB3ITGA2BAOC3MAOAMAOB
SCHEMBL8545572 0.79 ITGB3 (0.51) ITGB3ITGA2BAOC3
SCHEMBL8547044 0.79 ITGB3 (0.53) ITGB3ITGA2BAOC3MAOAMAOB
SCHEMBL9424824 0.78 ITGB3 (0.47) ITGB3ITGA2BAOC3DRD2DRD4
SCHEMBL8545357 0.78 ITGB3 (0.47) ITGB3ITGA2BAOC3DRD2DRD3
SCHEMBL8544276 0.77 MAOA (0.51) ITGB3ITGA2BAOC3MAOAMAOB

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