SCHEMBL7417484

SCHEMBL7417484

CCCCS(=O)(=O)N[C@@H](CN)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
CAD P27708 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ITGAV P06756 1/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A4 P31645 1/20 0.34
NOD1 Q9Y239 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6935765 1.00 ITGB3 (0.44) ITGB3ITGA2BCADKMT2APOLB
SCHEMBL7339072 0.89 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7312875 0.89 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL7312863 0.88 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL7312868 0.88 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7262653 0.82 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7262649 0.82 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7016778 0.81 ITGB3 (0.48) ITGB3ITGA2BKMT2APOLBITGAV
SCHEMBL7656995 0.80 ITGB3 (0.39) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7412897 0.79 CA2 (0.46) CADKMT2APOLBNOD1

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-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
EP-0684823-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1997-07-09 EP disclosed
EP-0684823-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-12-06 EP disclosed
WO-1994018981-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-09-01 WO disclosed