SCHEMBL7397488

SCHEMBL7397488

O=C(NCC(NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.72
ITGA2B P08514 13/20 0.72
ITGAV P06756 2/20 0.66
HRH3 Q9Y5N1 2/20 0.54
LTA4H P09960 1/20 0.54
KCNH2 Q12809 1/20 0.53
AURKA O14965 1/20 0.52
FLT1 P17948 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL7399432 0.85 ITGB3 (0.62) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7488060 0.83 ITGB3 (0.98) ITGB3ITGA2BITGAV
SCHEMBL7399205 0.81 ITGB3 (0.84) ITGB3ITGA2BITGAV
SCHEMBL7399761 0.80 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7487559 0.80 ITGB3 (0.76) ITGB3ITGA2BITGAV
SCHEMBL7398723 0.80 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7397770 0.79 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7398496 0.79 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7488462 0.79 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL8458584 0.79 ITGB3 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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