SCHEMBL8545644

SCHEMBL8545644

O=C1c2ccc(OCCNO)cc2CCN1CCCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.51
ITGA2B P08514 11/20 0.51
AOC3 Q16853 5/20 0.46
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
HRH3 Q9Y5N1 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
SCHEMBL8548927 0.90 ITGB3 (0.53) ITGB3ITGA2BAOC3S1PR1
Formamide SCHEMBL8543151 0.87 ITGB3 (0.48) ITGB3ITGA2BAOC3HRH3
SCHEMBL8541614 0.85 ITGB3 (0.47) ITGB3ITGA2BAOC3HRH3
SCHEMBL8542189 0.83 ITGB3 (0.46) ITGB3ITGA2BAOC3HRH3
SCHEMBL8542223 0.83 ITGB3 (0.54) ITGB3ITGA2BAOC3S1PR1S1PR3
SCHEMBL8548505 0.83 ITGB3 (0.49) ITGB3ITGA2BAOC3S1PR1S1PR3
SCHEMBL8542499 0.82 ITGB3 (0.46) ITGB3ITGA2BAOC3HRH3
SCHEMBL8544993 0.81 ITGB3 (0.47) ITGB3ITGA2BAOC3S1PR1S1PR3
SCHEMBL8547138 0.81 ITGB3 (0.51) ITGB3ITGA2BAOC3S1PR1S1PR3
SCHEMBL8548449 0.80 ITGB3 (0.53) ITGB3ITGA2BAOC3S1PR1S1PR3

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