SCHEMBL7399762

SCHEMBL7399762

N[C@H](CC(=O)OC(=O)c1ccc(OCCCC2CNC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.50
ITGA2B P08514 17/20 0.50
ITGAV P06756 2/20 0.43
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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 0.95 ITGB3 (0.55) ITGB3ITGA2BITGAVHRH2HRH1
Hydrochloric Acid SCHEMBL7488066 0.83 ITGB3 (0.59) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL7399467 0.82 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7484657 0.82 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7399434 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7487574 0.81 ITGB3 (0.48) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL8459490 0.80 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7397491 0.80 HRH3 (0.52)
SCHEMBL7398040 0.80 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7399198 0.79 ITGB3 (0.46) 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