SCHEMBL7399434

SCHEMBL7399434

N[C@H](CC(=O)OC(=O)c1ccc(OCC=CCC2CCNC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.46
ITGA2B P08514 19/20 0.46
ITGAV P06756 1/20 0.35

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
SCHEMBL7399207 0.81 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7399762 0.81 ITGB3 (0.50) ITGB3ITGA2BITGAV
SCHEMBL7399467 0.79 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7398040 0.77 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8458587 0.75 SLC1A3 (0.47) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7488066 0.75 ITGB3 (0.59) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7494945 0.74 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7401415 0.74 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7398858 0.73 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7398124 0.73 POLB (0.45) ITGB3ITGA2B

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