SCHEMBL7398404

SCHEMBL7398404

NCCNC(=O)c1ccc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.79
ITGA2B P08514 14/20 0.79
ITGAV P06756 7/20 0.61

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
SCHEMBL8458591 0.88 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL8458584 0.88 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL6494871 0.87 ITGB3 (0.61) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7488060 0.84 ITGB3 (0.98) ITGB3ITGA2BITGAV
SCHEMBL7398120 0.84 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL8454591 0.83 ITGB3 (0.75) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL6493786 0.82 ITGB3 (0.65) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL6499561 0.82 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7752629 0.81 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7752361 0.81 ITGB3 (0.73) 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