SCHEMBL7033322

SCHEMBL7033322

CCCCS(=O)(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.47
ITGA2B P08514 12/20 0.47
ITGAV P06756 3/20 0.41
ECE1 P42892 1/20 0.41
CHRM2 P08172 1/20 0.39
SLC6A4 P31645 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL31128440 0.87 ITGB3 (0.46) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7142465 0.84 ITGB3 (0.50) ITGB3ITGA2BITGAVCA2
SCHEMBL7262653 0.83 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7262649 0.83 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7403923 0.81 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7144029 0.81 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7144039 0.81 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL21724523 0.80 ECE1 (0.39) ITGB3ITGA2BECE1
SCHEMBL21724506 0.80 ECE1 (0.39) ITGB3ITGA2BECE1
SCHEMBL21724522 0.80 ECE1 (0.39) ITGB3ITGA2BECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963370-B1 INTEGRIN ANTAGONISTS LILLY CO ELI (US) 2003-03-19 EP disclosed
US-5821241-A INHIBIT BINDING OF FIBRINOGEN TO BLOOD PLATELETS, INHIBIT AGGREGATION OF BLOOD PLATELETS, PREVENT OR TREAT THROMBUS OR EMBOLUS FORMATION MERCK & CO., INC. (US) 1998-10-13 US disclosed
WO-1994018981-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-09-01 WO disclosed