SCHEMBL7399462

SCHEMBL7399462

O=C(NCC(NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(OCCOC2CCNCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.79
ITGA2B P08514 18/20 0.79
ITGAV P06756 2/20 0.62

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
SCHEMBL7399205 0.83 ITGB3 (0.84) ITGB3ITGA2BITGAV
SCHEMBL7399761 0.83 ITGB3 (0.77) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7488060 0.80 ITGB3 (0.98) ITGB3ITGA2BITGAV
SCHEMBL7399467 0.79 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7490912 0.78 ITGB3 (0.91) ITGB3ITGA2BITGAV
SCHEMBL7488462 0.78 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7397488 0.78 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7401346 0.77 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL244700 0.77 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6649836 0.77 ITGB3 (1.00) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP claimed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP claimed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO claimed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed